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1. Decomposition of the CO stretching vibration band of laboratory H2O-CO ices irradiated by heavy ions

Author: Hermann Rothard, E. F. da Silveira, A. L. F. de Barros, Alicja Domaracka, Ph. Boduch, E. Seperuelo Duarte, Instituto Federal de Educação, Ciência e Tecnologia do Rio de Janeiro, Centro Federal de Educação Tecnológica Celso Suckow da Fonseca (Rio de Janeiro) ( CEFET/RJ), Pontifical Catholic University of Rio de Janeiro (PUC), Atomes, Molécules et Agrégats (AMA), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Matériaux, Défauts et IRradiations (MADIR), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Physics, [PHYS]Physics [physics], 010504 meteorology & atmospheric sciences, solid state -ISM, 010308 nuclear & particles physics, molecules -infrared, Analytical chemistry, Astronomy and Astrophysics, Ice mantles, 01 natural sciences, Decomposition, Ion, Vibration, astrochemistry -solid state, 13. Climate action, Space and Planetary Science, general, 0103 physical sciences, Irradiation, volatile -methods, laboratory, ISM, 0105 earth and related environmental sciences
Abstract: H2O and CO molecules are the main constituents of the interstellar dust grain ice mantles. Infrared spectra of the ices in line of sights of young stellar objects and background stars have shown that the CO stretching vibration band can be decomposed into three main components: 2143, 2139 and 2136 cm−1, assigned to CO in different environment sites. The relative strengths between the components have been associated to an evolutionary track of the interstellar molecular clouds. H2O:CO (3:2) and (10:1) ices samples were irradiated by 0.79 MeV/u 58Ni13 + ions to simulate the effects produced by heavy ion cosmic rays in typical interstellar ices mixtures. The CO stretching vibration band is decomposed into six Gaussians functions (2150, 2144, 2141, 2138, 2136 and 2133 cm−1) and their integrated absorbances were measured as a function of fluence. The results have shown that, at the final fluence, the component 2138 cm−1 is the main component of the CO stretching vibration band. The component 2150 cm−1 disappears at the beginning of irradiation. Based on the present and previous results, a time scale for the components in the interstellar ices is proposed. For H2O:CO ice in the ISM it is predicted that, after 1 Myrs, the main components of the CO stretching vibration band are the 2138 cm−1 and 2141 cm−1, due to the CO monomers and dimers, respectively.
Published: 2021

2. A general approach to study molecular fragmentation and energy redistribution after an ionizing event

Author: Paola Bolognesi, Sergio Díaz-Tendero, Patrick Rousseau, Ewa Erdmann, Jacopo Chiarinelli, Suvasthika Indrajith, Bernd A. Huber, Marta Łabuda, Alicja Domaracka, Robert Richter, Manuel Alcamí, Néstor F. Aguirre, Lorenzo Avaldi, Gdańsk University of Technology (GUT), Universidad Autonoma de Madrid (UAM), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Université de Caen Normandie (UNICAEN), Istituto di Struttura della Materia (CNR-ISM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Centre National de la Recherche Scientifique (CNRS), Elettra Sincrotrone Trieste, Universidad Autónoma de Madrid (UAM), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR)
Subjects: Physics, [PHYS.PHYS]Physics [physics]/Physics [physics], 010304 chemical physics, Internal energy, furan, education, General Physics and Astronomy, Photoionization, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Molecular physics, Dissociation (chemistry), PEPICO, 0104 chemical sciences, Ion, M3C, Fragmentation (mass spectrometry), Ionization, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Mass spectrum, Redistribution (chemistry), Physical and Theoretical Chemistry
Abstract: International audience; We propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectronphotoion coincidence experiments and the different mass spectra obtained when ions ranging from Ar + to Xe 25+ or electrons are used in collision experiments. It provides deep insights into the redistribution of the internal energy in the ionized molecule and its influence on the dissociation pathways and resulting charged fragments. The present pilot study demonstrates the efficiency of a statistical exchange of excitation energy among various degrees of freedom of the molecule and proves that the proposed approach is mature to be extended to more complex systems.
Published: 2021

3. Timing of charge migration in betaine by impact of fast atomic ions

Author: Dariusz G. Piekarski, Fernando Martín, Bernd A. Huber, Sergio Díaz-Tendero, Jesús González-Vázquez, Alicja Domaracka, Janina Kopyra, Lamri Adoui, Manuel Alcamí, Patrick Rousseau, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU), Atomes, Molécules et Agrégats (AMA), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Universidad Autónoma de Madrid (UAM), Siedlce University of Natural Sciences and Humanities, Centre National de la Recherche Scientifique (CNRS), UAM. Departamento de Química, Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), and Universidad Autonoma de Madrid (UAM)
Subjects: Materials science, Electron dynamics, Electron, 01 natural sciences, Electron Migration, Ion, Electron Dynamics, chemistry.chemical_compound, Betaine, Migration Time, 0103 physical sciences, Molecule, 010306 general physics, ComputingMilieux_MISCELLANEOUS, Atomic Ion, [PHYS]Physics [physics], Multidisciplinary, 010304 chemical physics, Charge (physics), Química, Ion bombardment, Negative Charge, Ions Bombardment, Zwitter Ionic Molecule, chemistry, Chemical physics, Charge Migration, Astrophysics::Earth and Planetary Astrophysics, Splittings
Abstract: The way molecules break after ion bombardment is intimately related to the early electron dynamics generated in the system, in particular, charge (or electron) migration. We exploit the natural positive-negative charge splitting in the zwitterionic molecule betaine to selectively induce double electron removal from its negatively charged side by impact of fast O
Published: 2021

4. Polypeptide formation in clusters of β-alanine amino acids by single ion impact

Author: Manuel Alcamí, Patrick Rousseau, Fernando Martín, Sergio Díaz-Tendero, Dariusz G. Piekarski, Alicja Domaracka, Lamri Adoui, M. Capron, Bernd A. Huber, Normandie Université (NU), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Universidad Autonoma de Madrid (UAM), Centre National de la Recherche Scientifique (CNRS), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Universidad Autónoma de Madrid (UAM)
Subjects: Spectrometry, Mass, Electrospray Ionization, Reaction kinetics and dynamics, Science, General Physics and Astronomy, 02 engineering and technology, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Article, General Biochemistry, Genetics and Molecular Biology, Ion, Molecular dynamics, Fragmentation (mass spectrometry), Origin of life, Molecule, Peptide bond, Amino Acids, lcsh:Science, Ions, [PHYS]Physics [physics], chemistry.chemical_classification, Quantitative Biology::Biomolecules, Multidisciplinary, Tetrapeptide, Water, Dipeptides, General Chemistry, Astrobiology, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Amino acid, Crystallography, chemistry, beta-Alanine, Mass spectrum, Thermodynamics, lcsh:Q, Peptides, 0210 nano-technology, Oligopeptides
Abstract: The formation of peptide bonds by energetic processing of amino acids is an important step towards the formation of biologically relevant molecules. As amino acids are present in space, scenarios have been developed to identify the roots of life on Earth, either by processes occurring in outer space or on Earth itself. We study the formation of peptide bonds in single collisions of low-energy He2+ ions (α-particles) with loosely bound clusters of β-alanine molecules at impact energies typical for solar wind. Experimental fragmentation mass spectra produced by collisions are compared with results of molecular dynamics simulations and an exhaustive exploration of potential energy surfaces. We show that peptide bonds are efficiently formed by water molecule emission, leading to the formation of up to tetrapeptide. The present results show that a plausible route to polypeptides formation in space is the collision of energetic ions with small clusters of amino acids., Formation of peptide bonds in cold gas-phase environments might represent a prebiotic synthesis route of polypeptides. Here, the authors show the formation of up to tetra-peptide species in the collision of He2+ ions, with kinetic energies typical for solar wind ions, with cold β-alanine clusters.
Published: 2020

5. Energetic Processing of Molecular and Metallic Nanoparticles by Ion Impact

Author: Patrick Rousseau, A. Domaracka, Arkadiusz Mika, and B.A. Huber
Subjects: Materials science, Nanotechnology, Metal nanoparticles, Ion
Published: 2020

6. Vibrationally Mediated Stabilization of Electrons in Nonpolar Matter

Author: Alicja Domaracka, Štěpán Sršeň, Jaroslav Kočišek, Jakub Med, Patrick Rousseau, Juraj Fedor, Petr Slavíček, Suvasthika Indrajith, Michal Fárník, Department of Physical Chemistry, University of Chemistry and Technology, Prague, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, 010304 chemical physics, Electron energy loss spectroscopy, Quantum dynamics, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Solvation, Electron, 010402 general chemistry, Solvated electron, 01 natural sciences, 7. Clean energy, 0104 chemical sciences, Ion, Chemical physics, Molecular vibration, 0103 physical sciences, Path integral molecular dynamics, General Materials Science, Physical and Theoretical Chemistry, Physics::Chemical Physics
Abstract: International audience; We explore solvation of electrons in nonpolar matter, here represented by butadiene clusters. Isolated butadiene supports only the existence of transient anions (resonances). Two-dimensional electron energy loss spectroscopy shows that the resonances lead to an efficient vibrational excitation of butadiene, which can result into the almost complete loss of energy of the interacting electron. Cluster-beam experiments show that molecular clusters of butadiene form stable anions, however only at sizes of more than 9 molecular units. We have calculated the distribution of electron affinities of clusters using classical and path integral molecular dynamics simulations. There is almost a continuous transition from the resonant to the bound anions with an increase in cluster size. The comparison of the classical and quantum dynamics reveals that the electron binding is strongly supported by molecular vibrations, brought about by nuclear zero-point motion and thermal agitation. We also inspected the structure of the solvated electron, finding it well localized.
Published: 2020

7. Infrared complex refractive index of N-containing astrophysical ices free of water processed by cosmic-ray simulated in laboratory

Author: Sergio Pilling, W.R.M. Rocha, Philippe Boduch, Hermann Rothard, Alicja Domaracka, Universidade do Vale do Paraíba (UNIVAP), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: 010504 meteorology & atmospheric sciences, Infrared, Thin films, Analytical chemistry, Infrared spectroscopy, Cosmic ray, 01 natural sciences, Analytical Chemistry, Ion, 0103 physical sciences, Mid-IR albedo, Molecule, Kramers-Kronig, Spectroscopy, 010303 astronomy & astrophysics, Instrumentation, Cosmic rays, 0105 earth and related environmental sciences, [PHYS]Physics [physics], Complex refractive index, Chemistry, Atomic and Molecular Physics, and Optics, Interstellar medium, 13. Climate action, Astrophysical ices, Astrophysics::Earth and Planetary Astrophysics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], Refractive index
Abstract: Several nitrogen-containing molecules have been unambiguously identified in the Solar System and in the Interstellar Medium. It is believed that such a rich inventory of species is a result of the energetic processing of astrophysical ices during the interaction with ionizing radiation. An intrinsic parameter of matter, the complex refractive index, stores all the “chemical memory” triggered by energetic processing, and therefore might be used to probe ice observations in the infrared. In this study, four N-containing ices have been condensed in an ultra-high vacuum chamber and processed by heavy ions (O and Ni) with energies between 0.2 and 15.7 MeV at the Grand Accelerateur National d’Ions Lourds (GANIL), in Caen, France. All chemical changes were monitored in situ by Infrared Absorption Spectroscopy. The complex refractive index was calculated directly from the absorbance spectrum, by using the Lambert-Beer and Kramers-Kroning relations, and the values are available in an online database: https://www1.univap.br/gaa/nkabs-database/data.htm . As a result, other than the database, it was observed that non-polar ices are more destroyed by sputtering than polar ones. Such destruction and chemical evolution lead to variation in the IR albedo of samples addressed in this paper.
Published: 2020

8. Interaction of hydantoin with solar wind minority ions: O6+ and He2+

Author: P. Moretto-Capelle, Julie Renoud, Alicja Domaracka, Suvasthika Indrajith, Bernd A. Huber, Patrick Rousseau, Jean-Philippe Champeaux, Interactions Ions-Matière (LCAR) (I²M), Laboratoire Collisions Agrégats Réactivité (LCAR), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)
Subjects: Physics, Astrochemistry, Double ionization, General Physics and Astronomy, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Reaction coordinate, Ion, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Ionization, 0103 physical sciences, Mass spectrum, Molecule, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology, 010303 astronomy & astrophysics
Abstract: The laboratory study of prebiotic molecules interacting with solar wind ions is important to understand their role in the emergence of life in the complex context of the astrochemistry of circumstellar environments. In this work, we present the first study of the interaction of hydantoin (C3N2O2H4, 100 a.m.u.) with solar wind minority multi-charged ions: O6+ at 30 keV and He2+ at 8 keV. The fragmentation mass spectra as well as correlation maps resulting from the interaction are presented and discussed in this paper. Prompt and delayed dissociations from metastable states of the ionized molecule have been observed and the corresponding lifetimes measured. Experimental results are completed by quantum Density Functional Theory (DFT) calculations for energies, structures and dynamics (Internal Reaction Coordinates and Dynamic Reaction Coordinates) of the molecule for its different reachable charge states and the major observed fragmentation pathways. These calculations show that the molecule can only support two charges before spontaneously dissociating in agreement with the experimental observations. Calculations also demonstrate that hydantoin's ring opens after double ionization of the molecule which may enhance its reactivity in the background of biological molecule formation in a cirmcumstellar environment. For the major experimentally observed fragmentations (like 44 a.m.u./56 a.m.u. dissociation), Internal Reaction Coordinate (IRC) calculations were performed pointing out for example the important role of hydrogen transfer in the fragmentation processes.
Published: 2020

9. Adamantane dication fragmentation dynamics following ion collisions

Author: Sergio Díaz-Tendero, P. Rousseau, S. Maclot, B A Huber, C. Nicolafrancesco, S. Indrajith, A. Domaracka, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Laboratoire des collisions atomiques et moléculaires (LCAM), and Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)
Subjects: [PHYS]Physics [physics], History, chemistry.chemical_compound, Fragmentation (mass spectrometry), Chemistry, Adamantane, Photochemistry, Computer Science Applications, Education, Dication, Ion
Abstract: International audience
Published: 2020

10. Determination of energy-transfer distributions in ionizing ion-molecule collisions

Author: Paola Bolognesi, Manuel Alcamí, Suvasthika Indrajith, Patrick Rousseau, Jacopo Chiarinelli, Alicja Domaracka, Bernd A. Huber, Marta Łabuda, Sergio Díaz-Tendero, Ewa Erdmann, Lorenzo Avaldi, Néstor F. Aguirre, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Istituto di Struttura della Materia (CNR-ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid, Departamento de Qímica, IMAFF, Laboratoire des collisions atomiques et moléculaires (LCAM), and Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Physics, [PHYS]Physics [physics], History, 010304 chemical physics, Energy transfer, 01 natural sciences, Computer Science Applications, Education, Ionizing radiation, Ion, 0103 physical sciences, Molecule, Atomic physics, 010306 general physics
Abstract: Synopsis The main objective of this study is to determine the energy transfer occuring in ion-molecule collisions. In order to solve this problem, we followed two approaches; the first one by validating a purely experimental method and the second one by testing a new theoretical model M3C (Microcanonical Metropolis Monte Carlo).
Published: 2020

11. Interaction of multiply charged ions with large free silver nanoparticles: Multielectron capture, fragmentation, and sputtering phenomena

Author: Alicja Domaracka, Patrick Rousseau, Bernd A. Huber, Arkadiusz Mika, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Nanoparticle, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Silver nanoparticle, Ion, Degree of ionization, Fragmentation (mass spectrometry), Sputtering, 0103 physical sciences, Cluster (physics), Ionization energy, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics, 0210 nano-technology, Nuclear Experiment
Abstract: International audience; We report on the interaction of multiply charged ions at keV energies with free Ag nanoparticles with diameters of ∼6 nm (containing about 6600 Ag atoms). As the ionization energy increases only very slowly with the degree of ionization, multielectron capture processes are very likely to occur in peripheral collisions with large cluster sizes. However, due to the large particle size, the produced highly charged Ag nanoparticles are mostly stable. For projectile charge states below q=8 the geometrical cross section overcomes the cross section for peripheral electron transfer, and penetrating collisions become dominant. Therefore, these collisions can be described as ion collision with a nanosurface, where the distribution of small-size fragments with n
Published: 2019

12. Production of Hydronium Ion (H 3 O) + and Protonated Water Clusters (H 2 O) n H + after Energetic Ion Bombardment of Water Ice in Astrophysical Environments

Author: Maria Elisabetta Palumbo, R. Martinez, Alicja Domaracka, A N Agnihotri, Hermann Rothard, G Muniz, Giovanni Strazzulla, Daniele Fulvio, Ph. Boduch, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Centre Interdisciplinaire de Recherche Ions Lasers (CIRIL), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Università degli studi di Torino = University of Turin (UNITO), Institut des Nanosciences de Paris (INSP), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), INAF - Osservatorio Astrofisico di Catania (OACT), Istituto Nazionale di Astrofisica (INAF), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS), University of Turin, ITA, FRA, and BRA
Subjects: 010304 chemical physics, Hydrogen, Chemistry, Hydride, Analytical chemistry, Ionic bonding, chemistry.chemical_element, 010402 general chemistry, 7. Clean energy, 01 natural sciences, 0104 chemical sciences, Ion, Interstellar medium, 13. Climate action, Sputtering, Ionization, 0103 physical sciences, Amorphous ice, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Astrophysics::Earth and Planetary Astrophysics, Physical and Theoretical Chemistry, Astrophysics::Galaxy Astrophysics, Physics::Atmospheric and Oceanic Physics, ComputingMilieux_MISCELLANEOUS
Abstract: Water ice exists on many objects in space. The most abundant icy species, among them water, are present in the icy satellites of the outer Solar System giant planets. The nuclei of comets, which are mainly composed of water ice, give another example of its abundance. In the interstellar medium (ISM), ice mantles, formed by molecular species sticking on dust grains, consist mainly of water ice. All these objects are exposed to ionizing radiation like ions, UV photons, and electrons. Sputtering of atoms, molecules, ions, and radicals from icy surfaces may populate and maintain exospheres of icy objects in the Solar System. In other respects, ionized hydrides such as OH+, H2O+, and H3O+ have been detected in the gas phase in star-forming regions. Interactions with cosmic rays could be an additional explanation to the current models for the formation of those species. In fact, laboratory simulations showed that the main components of the sputtered ionic species from water ice are oxygen hydrides. In this work, water ice targets were irradiated at several temperatures (10-200 K) by 90 keV O6+ ions, yielding an electronic stopping power of about 12 eV/A, when the nuclear stopping power is comparable to the electronic stopping power. Sputtering of secondary ions after bombardment of the ice target was analyzed by time-of-flight mass spectrometry (TOF-SIMS). Besides hydrogen ions (H+, H2+, H3+), also O+, O2+, OH+, (H2O)+, and clusters of (H2O)nH+ with n = 1-8 are emitted. Our results show a progressive yield decrease with increasing temperature of all of the detected species. This is related to the structure of the ice: the ionic sputtering yield for crystalline ice is much lower than for an amorphous ice. For instance, amorphous ice at 10 K exhibits a yield of the order of 2 × 10-6 secondary (H2O)nH+ hydride ions/projectile (with n = 1-8). As the temperature is increasing toward the phase transition to crystalline ice, the yields decrease by about one order of magnitude.
Published: 2019

13. Decomposition of Iron Pentacarbonyl Induced by Singly and Multiply Charged Ions and Implications for Focused Ion Beam-Induced Deposition

Author: Chiara Nicolafrancesco, Alicja Domaracka, Kateryna Grygoryeva, Patrick Rousseau, Barbora Sedmidubská, Suvasthika Indrajith, Bernd A. Huber, Juraj Fedor, Pamir Nag, Jaroslav Kočišek, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Projectile, Astrophysics::High Energy Astrophysical Phenomena, 02 engineering and technology, Substrate (electronics), 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Focused ion beam, Decomposition, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Ion, Iron pentacarbonyl, chemistry.chemical_compound, General Energy, Nanolithography, chemistry, Physics::Plasma Physics, Chemical physics, Deposition (phase transition), Physical and Theoretical Chemistry, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 0210 nano-technology
Abstract: International audience; Focused ion beams are becoming important tools in nanofabrication.The underlying physical processes in the substrate were already explored for severalprojectile ions. However, studies of ion interaction with precursor molecules forbeam-assisted deposition are almost nonexistent. Here, we explore the interaction ofvarious projectile ions with iron pentacarbonyl. We report fragmentation patterns ofisolated gas-phase iron pentacarbonyl after interaction with 4He+ at a collisionenergy of 16 keV, 4He2+ at 16 keV, 20Ne+ at 6 keV, 20Ne4+ at 40 keV, 40Ar+ at 3 keV,40Ar3+ at 21 keV, 84Kr3+ at 12 keV, and 84Kr17+ at 255 keV. These projectiles coverinteraction regimes ranging from collisions dominated by nuclear stopping throughcollisions dominated by electronic stopping to soft resonant electron-captureinteractions. We report a surprising efficiency of Ne+ in the Fe(CO)5decomposition. The interaction with multiply charged ions results in a highercontent of parent ions and slow metastable fragmentation due to the electroncaptureprocess. The release of CO groups during the decomposition process seems to take off a significant amount of energy.The fragmentation mechanism may be described as Fe being trapped within a CO cluster.
Published: 2019

14. Fragmentation of Bi clusters by multiply charged ions

Author: Alicja Domaracka, Arkadiusz Mika, P. Rouseau, Bernd A. Huber, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Physics, Fission, Nanoparticle, Trimer, Kinetic energy, 01 natural sciences, Molecular physics, 010305 fluids & plasmas, Ion, Metal, Semi-empirical mass formula, Fragmentation (mass spectrometry), visual_art, 0103 physical sciences, visual_art.visual_art_medium, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics
Abstract: We report on collisions of multiply charged ions with free Bi nanoparticles in the gas phase. The nanoparticles contain up to 650 Bi atoms corresponding to a diameter of 3.5 nm. The stability limit of multiply charged Bi clusters has been investigated yielding appearance sizes for Bi clusters in charge states up to $q=6$, which are in good agreement with predictions of the liquid drop model. This finding underlines the metallic character of the Bi particles. By coincidence measurements the correlation between the dominant fragments ${\mathrm{Bi}}^{+}$ and ${{\mathrm{Bi}}_{3}}^{+}$ and larger multiply charged residues has been determined. The comparison of the kinetic energies with $Q$-value calculations within the liquid drop model allowed identifying specific decay processes as two-body asymmetric fission or multifragmentation events. The higher kinetic energies of singly charged monomer ions compared to that of trimer ions are explained by a higher fissility of the decaying system. Correlation islands for small fragments indicate different decay mechanisms based on two-step processes where a third undetected fragment can be emitted in the first or the second step.
Published: 2019

15. Ion radiation in icy space environments: Synthesis and radioresistance of complex organic molecules

Author: Nicolas Nieuwjaer, Hermann Rothard, Aditya N. Agnihotri, Frédéric Lecomte, Charles Desfrançois, Gabriel S. Vignoli Muniz, Bruno Manil, R. Martinez, Philippe Boduch, B. Augé, Prudence C. J. Ada Bibang, Alicja Domaracka, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Lasers (LPL), Université Paris 13 (UP13)-Centre National de la Recherche Scientifique (CNRS), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: 010302 applied physics, Physics and Astronomy (miscellaneous), General Physics and Astronomy, Cosmic ray, Electron, 01 natural sciences, Ionizing radiation, Ion, Fragmentation (mass spectrometry), Chemical physics, 0103 physical sciences, Radiolysis, Molecule, ddc:530, Irradiation, Astrophysics::Earth and Planetary Astrophysics, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics
Abstract: International audience; Ices are omnipresent in cold regions in space on, e.g., comets, dust grains, transneptunian objects, surfaces of planets and their satellites. The dominant molecule in such ices is water, but also other small molecules or even complex organic molecules (COMs) may be present. Ionizing radiation (UV photons, electrons, ions from cosmic rays or solar wind) induces several physico-chemical processes such as radiolysis. The fragmentation of initial molecules followed by chemical reactions between radicals may lead to formation of new molecules. Furthermore, also implanted projectiles can contribute to chemistry by forming new molecular species. Other observed effects include structural changes (compaction, amorphization) and desorption (sputtering) of particles from the surface. At CIMAP (Caen, France), using the different beam lines of the GANIL facility, and at GSI (Darmstadt, Germany), the interaction of swift highly charged heavy ions with astrophysical ices has been studied in a wide projectile energy range from keV to GeV. Here, two examples of our studies on astrophysical and astrochemical applications will be discussed in detail: 1) the synthesis of COMs under irradiation of ices made of small molecules, and 2) radiosensitivity of COMs such as pyridine, glycine and adenine, both for isolated molecules in the gas phase and in condensed phase. Special emphasis is given on pyridine and pyridine in water matrix.
Published: 2019

16. Understanding the formation of metastable furan dication in collisions with ions

Author: Manuel Alcamí, Sergio Díaz-Tendero, Suvasthika Indrajith, Néstor F. Aguirre, Ewa Erdmann, Paola Bolognesi, Jacopo Chiarinelli, Patrick Rousseau, Lorenzo Avaldi, Marta Łabuda, Alicja Domaracka, and Bernd A. Huber
Subjects: History, chemistry.chemical_compound, chemistry, Furan, Metastability, Photochemistry, Computer Science Applications, Education, Dication, Ion
Abstract: Synopsis This work relies on complementary theoretical and experimental studies of the processes induced by ion-furan collisions. Results of the Molecular Dynamics simulations and exploration of the energy profiles combined with coincidence mass spectrometry provide complete picture of the fragmentation of furan dication.
Published: 2020

17. Energetic processing of hydrocarbons molecular species by ionizing radiation towards the formation of cyclic species

Author: Patrick Rousseau, J Kočišekt, Suvasthika Indrajith, Alicja Domaracka, Bernd A. Huber, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: [PHYS]Physics [physics], History, Photon, Materials science, Electron, Molecular physics, Computer Science Applications, Education, Ion, Ionizing radiation
Abstract: Synopsis Here we report on experimental studies of the collisions between butadiene clusters and three different ionizing radiation sources: 70 eV electrons, 270 nm photons and 3 keV Ar+ ions. New molecular species are produced by growth mechanism inside of clusters.
Published: 2020

18. Ion-collision induced molecular growth in polycyclic aromatic hydrocarbon clusters: comparison of C16H10 structural isomers

Author: Arkadiusz Mika, Patrick Rousseau, Alicja Domaracka, R. Delaunay, Bernd A. Huber, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU), Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Fluoranthene, chemistry.chemical_classification, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Optical physics, Polycyclic aromatic hydrocarbon, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Ion, chemistry.chemical_compound, chemistry, Structural isomer, Cluster (physics), Pyrene, Molecule, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract: The interaction of 3 keV Ar+ ions with clusters of two structural isomers of C16H10 polycyclic aromatic hydrocarbons, namely fluoranthene and pyrene, has been studied. Following the collision with the atomic projectile, a rich molecular growth inside of the cluster is observed for both isomers. The observed growth processes include the hydrogenation of the parent molecule and the addition of CHx units. They are more important in the case of collisions with fluoranthene clusters, this can be explained by a more flexible carbon skeleton and lower reaction barriers. Moreover, the evolution of the hydrogenation with the size of the growth products gives information on the growth mechanisms.
Published: 2018

19. Insights into the dissociative ionization of glycine by PEPICO experiments

Author: Jacopo Chiarinelli, Alicja Domaracka, Lorenzo Avaldi, Feng Wang, Subhojyoti Chatterjee, Patrick Rousseau, Robert Richter, Paola Bolognesi, Mattea Carmen Castrovilli, Istituto di Struttura della Materia (CNR-ISM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Centre National de la Recherche Scientifique (CNRS), Elettra Sincrotrone Trieste, Swinburne University of Technology [Melbourne], Eindhoven University of Technology [Eindhoven] (TU/e), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: General Physics and Astronomy, syncrotron radiation, 02 engineering and technology, Photon energy, 01 natural sciences, Ion, Fragmentation (mass spectrometry), Ionization, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Molecular symmetry, Physical and Theoretical Chemistry, 010303 astronomy & astrophysics, Conformational isomerism, HOMO/LUMO, Lone pair, ComputingMilieux_MISCELLANEOUS, mass spectrometry, Quantitative Biology::Biomolecules, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], 021001 nanoscience & nanotechnology, PEPICO, 3. Good health, PES, Crystallography, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology, glycine
Abstract: The fragmentation of glycine (NH2CH2COOH) has been studied by photoelectron-photoion coincidence, PEPICO, experiments at 60 eV photon energy. Glycine practically fragments at the ionization threshold, with the charge being on the H2NCH2+ moiety, due to ejection of an electron from the nitrogen lone pair of the highest occupied molecular orbital. To observe the formation of the complementary cation COOH+ further energy is needed. The flexibility with respect to rotation about the C-C, C-N and C-O bonds makes glycine exist in the gas phase in several conformers of both Cs and C1 point group symmetry in the neutral as well as ion states. The ionization can lead to stabilization of some conformations, rearrangements and, last but not least, H migration between the two moieties. The results of these experiments prove the sensitivity of PEPICO to pin point all these processes.
Published: 2018

20. Shock-driven formation of covalently bound carbon nanoparticles from ion collisions with clusters of C60 fullerenes

Author: Arkadiusz Mika, Alicja Domaracka, Lamri Adoui, Michael Gatchell, Henning Zettergren, R. Delaunay, Patrick Rousseau, Bernd A. Huber, Henrik Cederquist, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU), Department of Physics [Stockholm], Stockholm University, Centre National de la Recherche Scientifique (CNRS), AlbaNova University Center, Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Fullerene, Projectile, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], chemistry.chemical_element, General Chemistry, 01 natural sciences, Shock (mechanics), Ion, Molecular dynamics, chemistry, Chemical physics, Covalent bond, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Molecule, General Materials Science, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 010306 general physics, 010303 astronomy & astrophysics, Carbon, ComputingMilieux_MISCELLANEOUS
Abstract: We show that the energetic processing of C60 clusters by slow atomic projectiles leads to ultrafast ( ps ) formation of large covalent carbon nanoparticles containing a few hundreds of atoms. The underlying mechanism is found to be due to impulse-driven collisions between the projectile and the nuclei of the molecules. Experimental findings are well reproduced by classical molecular dynamics simulations. The cross sections for molecular growth processes forming covalent systems which contain more than 60 carbon atoms are about 5 ⋅ 10 − 14 cm 2 representing more than 70% of the geometrical cross sections. This demonstrates the high efficiency of the underlying processes. The formed carbon nanoparticles contain both aromatic and aliphatic structures which have also been considered as dust components in space.
Published: 2018

21. Ion collision-induced chemistry in pure and mixed loosely bound clusters of coronene and C 60 molecules

Author: Henning Zettergren, Henrik Cederquist, Alicja Domaracka, Michael Gatchell, R. Delaunay, Bernd A. Huber, Patrick Rousseau, Arkadiusz Mika, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU), Centre National de la Recherche Scientifique (CNRS), Department of Physics [Stockholm], Stockholm University, Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], General Physics and Astronomy, Mass spectrometry, 01 natural sciences, Coronene, Ion, chemistry.chemical_compound, Fragmentation (mass spectrometry), Covalent bond, Chemical physics, Ionization, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Cluster (physics), Molecule, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Nuclear Experiment, 010306 general physics, 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS
Abstract: Ionization, fragmentation and molecular growth have been studied in collisions of 22.5 keV He2+- or 3 keV Ar+-projectiles with pure loosely bound clusters of coronene (C24H12) molecules or with loosely bound mixed C60-C24H12 clusters by using mass spectrometry. The heavier and slower Ar+ projectiles induce prompt knockout-fragmentation - C- and/or H-losses - from individual molecules and highly efficient secondary molecular growth reactions before the clusters disintegrate on picosecond timescales. The lighter and faster He2+ projectiles have a higher charge and the main reactions are then ionization by ions that are not penetrating the clusters. This leads mostly to cluster fragmentation without molecular growth. However, here penetrating collisions may also lead to molecular growth but to a much smaller extent than with 3 keV Ar+. Here we present fragmentation and molecular growth mass distributions with 1 mass unit resolution, which reveals that the same numbers of C- and H-atoms often participate in the formation and breaking of covalent bonds inside the clusters. We find that masses close to those with integer numbers of intact coronene molecules, or with integer numbers of both intact coronene and C60 molecules, are formed where often one or several H-atoms are missing or have been added on. We also find that super-hydrogenated coronene is formed inside the clusters.
Published: 2018

22. Cosmic ray sputtering yield of interstellar H$_2$O ice mantles: Ice mantle thickness dependence

Author: Emmanuel Dartois, Alicja Domaracka, A. N. Agnihotri, Marin Chabot, B. Augé, T. Id Barkach, Ph. Boduch, Hermann Rothard, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique Nucléaire d'Orsay (IPNO), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), and Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11)
Subjects: Astrochemistry, Interstellar cloud, FOS: Physical sciences, Thermal fluctuations, Cosmic ray, 02 engineering and technology, Astrophysics, 7. Clean energy, 01 natural sciences, Molecular physics, Mantle (geology), Physics::Geophysics, Ion, Sputtering, Desorption, 0103 physical sciences, 010303 astronomy & astrophysics, Physics, Astronomy and Astrophysics, 021001 nanoscience & nanotechnology, Astrophysics - Astrophysics of Galaxies, 13. Climate action, Space and Planetary Science, Astrophysics of Galaxies (astro-ph.GA), Astrophysics::Earth and Planetary Astrophysics, 0210 nano-technology, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]
Abstract: Interstellar grain mantles present in dense interstellar clouds are in constant exchange with the gas phase via accretion and desorption mechanisms such as UV, X-ray photodesorption, cosmic ray induced sputtering, grain thermal fluctuations, and chemical reaction energy release. The relative importance of the various desorption mechanisms is of uttermost importance for astrophysical models to constrain the chemical evolution in such high density dense cloud regions. In this experimental work we investigated the sputtering yield as a function of ice mantle thickness, exposed to Xe ions at 95MeV. The ion induced ice phase transformation and the sputtering yield were simultaneously monitored by IR spectroscopy and mass spec- trometry, respectively. The sputtering yield is constant above a characteristic ice layer thickness and starts to decrease below this thickness. An estimate of the sputtering depth corresponding to this length can be evaluated. In these experiments the measured desorption depth corresponds to 30 ice layers. Assuming an effective cylindrical shape for the volume of sputtered molecules, the aspect ratio is close to unity; in the semi-infinite ice film case this ratio is the diameter to height of the cylinder. This result shows that most ejected molecules arise from a rather compact volume. The measured infinite thickness sputtering yield for water ice mantles scales as the square of the ion electronic stopping power (Se). We expect that the desorption depth dependence varies with Se^a , where a=0.5. Astrophysical models should take into account the thickness dependence constraints of these ice mantles in the interface regions when ices are close to their extinction threshold. In the very dense cloud regions, most of the water ice mantles are above this limit for the bulk of the cosmic rays., Comment: 6 pages, 5 figures
Published: 2018

23. Unusual hydroxyl migration in the fragmentation of β-alanine dication in the gas phase

Author: Patrick Rousseau, Manuel Alcamí, Sylvain Maclot, Dariusz G. Piekarski, Sergio Díaz-Tendero, Alicja Domaracka, Lamri Adoui, R. Delaunay, Fernando Martín, Bernd A. Huber, Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid, Departamento de Qímica, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: General Physics and Astronomy, Collisions of ions and atomic/molecular targets, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Dissociation (chemistry), Ion, Molecular dynamics, chemistry.chemical_compound, Fragmentation (mass spectrometry), Fragmentation, Computational chemistry, Cations, Hydroxides, Molecule, Hydroxymethyl, Physics::Chemical Physics, Physical and Theoretical Chemistry, Biomolecules, 010405 organic chemistry, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Coulomb explosion, Química, B-alanine, 0104 chemical sciences, Dication, Amino Acid, Gas, beta-Alanine, Gases, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Abstract: We present a combined experimental and theoretical study of the fragmentation of doubly positively charged b-alanine molecules in the gas phase. The dissociation of the produced dicationic molecules, induced by low-energy ion collisions, is analysed by coincidence mass spectrometric techniques; the coupling with ab initio molecular dynamics simulations allows rationalisation of the experimental observations. The present strategy gives deeper insights into the chemical mechanisms of multiply charged amino acids in the gas phase. In the case of the b-alanine dication, in addition to the expected Coulomb explosion and hydrogen migration processes, we have found evidence of hydroxyl-group migration, which leads to unusual fragmentation products, such as hydroxymethyl cation, and is necessary to explain some of the observed dominant channels, Financial support received from the CNRS PICS-05356 program, the ANR Programme Blanc PIBALE/ANR-09-BLAN-013001. Work was partially supported by the projects FIS2013-42002-R and CTQ2013-43698-P (MINECO), and NANOFRONTMAG (CAM). D.G.P. acknowledges the support of the Erasmus Mundus program of the European Union (FPA 2010-0147)
Published: 2015

24. Sputtering of sodium and potassium from nepheline: Secondary ion yields and velocity spectra

Author: C.R. Ponciano, Hussein Hijazi, Philippe Boduch, R. Martinez, A. N. Agnihotri, T. Langlinay, F. Ropars, Amine Cassimi, E. F. da Silveira, John Robert Brucato, Giovanni Strazzulla, Hermann Rothard, Maria Elisabetta Palumbo, Alicja Domaracka, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Pontifical Catholic University of Rio de Janeiro (PUC), INAF - Osservatorio Astrofisico di Catania (OACT), Istituto Nazionale di Astrofisica (INAF), INAF - Osservatorio Astrofisico di Arcetri (OAA), Physique des interactions ioniques et moléculaires (PIIM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), ITA, FRA, and BRA
Subjects: Nuclear and High Energy Physics, 010504 meteorology & atmospheric sciences, Physics::Instrumentation and Detectors, Cosmic ray, 7. Clean energy, 01 natural sciences, Fluence, Ion, chemistry.chemical_compound, Sputtering, Nepheline, 0103 physical sciences, Irradiation, 010303 astronomy & astrophysics, Instrumentation, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, [PHYS]Physics [physics], Highly charged ion, chemistry, 13. Climate action, Physics::Space Physics, Astrophysics::Earth and Planetary Astrophysics, Atomic physics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], Exosphere
Abstract: Silicates are the dominant surface material of many Solar System objects, which are exposed to ion bombardment by solar wind ions and cosmic rays. Induced physico-chemical processes include sputtering which can contribute to the formation of an exosphere. We have measured sputtering yields and velocity spectra of secondary ions ejected from nepheline, an aluminosilicate thought to be a good analogue for Mercury's surface, as a laboratory approach to understand the evolution of silicate surfaces and the presence of Na and K vapor in the exosphere. Experiments were performed with highly charged ion beams (keV/u–MeV/u) delivered by GANIL using an imaging XY-TOF-SIMS device under UHV conditions. The fluence dependence of sputtering yields gives information about the evolution of surface stoichiometry during irradiation. From the energy distributions N(E) of sputtered particles, the fraction of particles which could escape from the gravitational field of Mercury, and of those falling back and possibly contributing to populate the exosphere can be roughly estimated.
Published: 2017

25. Fragmentation of pure and hydrated clusters of 5Br-uracil by low energy carbon ions: observation of hydrated fragments

Author: Alicja Domaracka, Sylvain Maclot, Jaroslav Kočišek, Patrick Rousseau, Paola Bolognesi, R. Delaunay, Mattea Carmen Castrovilli, Bernd A. Huber, Lorenzo Avaldi, P. Markush, Antonella Cartoni, Istituto di Struttura della Materia (CNR-ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU), Department of Chemistry University 'La Sapienza', Università degli Studi di Roma 'La Sapienza' = Sapienza University [Rome] (UNIROMA), Centre National de la Recherche Scientifique (CNRS), J. Heyrovsky Institute of Physical Chemistry (JH-INST), Czech Academy of Sciences [Prague] (CAS), Consiglio Nazionale delle Ricerche [Roma] (CNR), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), and Università degli Studi di Roma 'La Sapienza' = Sapienza University [Rome]
Subjects: collision-induced dissociation, gas-phase, halogenated pyrimidine, malignant glioma, Strong interaction, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Ion, chemistry.chemical_compound, Low energy, Fragmentation (mass spectrometry), Cluster (physics), Molecule, Physical and Theoretical Chemistry, ComputingMilieux_MISCELLANEOUS, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Uracil, 021001 nanoscience & nanotechnology, COLLISION-INDUCED DISSOCIATION, GAS-PHASE, HALOGENATED PYRIMIDINE, RADIATION-THERAPY, AUGER PROCESSES, X-RAYS, 5-BROMOURACIL, URACIL, 0104 chemical sciences, Crystallography, 13. Climate action, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology
Abstract: [object Object]The fragmentation of the isolated 5-bromouracil (5BrU) molecule and pure and nano-hydrated 5BrU clusters induced by low energy C-12(4+) ions has been studied. A comparison indicates that the environment, on the one hand, protects the system against the complete break-up into small fragments, but, on the other hand, triggers 'new' pathways for fragmentation, for example the loss of the OH group. The most striking result is the observation of several series of hydrated fragments in the hydrated cluster case, with water molecules bound to hydrophilic sites of 5BrU. This highlights the strong interaction between 5BrU and water molecules and the blocking of specific fragmentation pathways, such as the loss of the BrC2H group for example.
Published: 2017

26. Radioresistance of Adenine to Cosmic Rays

Author: Alicja Domaracka, R. Martinez, B. Augé, Christian F Mejía, Hermann Rothard, Gabriel S. Vignoli Muniz, Philippe Boduch, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Federal University of Amapà, Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Astrochemistry, 010504 meteorology & atmospheric sciences, Spectrophotometry, Infrared, Cosmic ray, 01 natural sciences, Ionizing radiation, Nucleobase, Ion, 0103 physical sciences, Stopping power (particle radiation), Heavy Ions, Irradiation, Spectroscopy, 010303 astronomy & astrophysics, 0105 earth and related environmental sciences, [SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph], Chemistry, Adenine, Radiochemistry, Ice, Temperature, Water, Agricultural and Biological Sciences (miscellaneous), 13. Climate action, Space and Planetary Science, ddc:520, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], Cosmic Radiation
Abstract: International audience; The presence of nucleobases in carbonaceous meteorites on Earth is an indication of the existence of this class of molecules in outer space. However, space is permeated by ionizing radiation, which can have damaging effects on these molecules. Adenine is a purine nucleobase that amalgamates important biomolecules such as DNA, RNA, and ATP. Adenine has a unique importance in biochemistry and therefore life. The aim of this work was to study the effects of cosmic ray analogues on solid adenine and estimate its survival when exposed to corpuscular radiation.Adenine films were irradiated at GANIL (Caen, France) and GSI (Darmstadt, Germany) by 820 MeV Kr33+, 190 MeV Ca10+, 92 MeV Xe23+, and 12 MeV C4+ ion beams at low temperature. The evolution of adenine molecules under heavy ion irradiation was studied by IR absorption spectroscopy as a function of projectile fluence.It was found that the adenine destruction cross section (σd) follows an electronic stopping power (Se) power law under the form: CSen; C is a constant, and the exponential n is a dimensionless quantity. Using the equation above to fit our results, we determined σd = 4 × 10−17Se1.17, with Se in kiloelectronvolts per micrometer (keV μm−1). New IR absorption bands arise under irradiation of adenine and can be attributed to HCN, CN-, C2H4N4, CH3CN, and (CH3)3CNC.These findings may help to understand the stability and chemistry related to complex organic molecules in space. The half-life of solid adenine exposed to the simulated interstellar medium cosmic ray flux was estimated as (10 ± 8) × 106 years. Key Words: Heavy ions—Infrared spectroscopy—Astrochemistry—Cosmic rays—Nucleobases—Adenine. Astrobiology 17, 298–308.
Published: 2017

27. Thermal and energetic processing of astrophysical ice analogues rich in SO2

Author: Z. Kaňuchová, Alicja Domaracka, Giovanni Strazzulla, Hermann Rothard, Ph. Boduch, Maria Elisabetta Palumbo, ITA, FRA, SVK, Astronomical Institute of the Slovak Academy of Sciences, Slovak Academy of Science [Bratislava] (SAS), Centre Interdisciplinaire de Recherche Ions Lasers (CIRIL), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), INAF - Osservatorio Astrofisico di Catania (OACT), Istituto Nazionale di Astrofisica (INAF), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Université de Caen Normandie (UNICAEN), and Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Astrochemistry, 010504 meteorology & atmospheric sciences, Infrared, Ionic bonding, FOS: Physical sciences, Astrophysics, 7. Clean energy, 01 natural sciences, Ion, 0103 physical sciences, Spectroscopy, 010303 astronomy & astrophysics, Instrumentation and Methods for Astrophysics (astro-ph.IM), ComputingMilieux_MISCELLANEOUS, Astrophysics::Galaxy Astrophysics, 0105 earth and related environmental sciences, Physics, [SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph], Molecular cloud, Astronomy and Astrophysics, Interstellar medium, 13. Climate action, Space and Planetary Science, Chemical physics, Sublimation (phase transition), Astrophysics::Earth and Planetary Astrophysics, Astrophysics - Instrumentation and Methods for Astrophysics
Abstract: Context. Sulfur is an abundant element in the cosmos and it is thus an important contributor to astrochemistry in the interstellar medium and in the solar system. Astronomical observations of the gas and of the solid phases in the dense interstellar/circumstellar regions have evidenced that sulfur is underabundant. The hypothesis to explain such a circumstance is that it is incorporated in some species in the solid phase (I.e. as frozen gases and/or refractory solids) and/or in the gas phase, which for different reasons have not been observed so far. Aims: Here we wish to give a contribution to the field by studying the chemistry induced by thermal and energetic processing of frozen mixtures of sulfur dioxide (one of the most abundant sulfur-bearing molecules observed so far) and water. Methods: We present the results of a series of laboratory experiments concerning thermal processing of different H2O:SO2 mixtures and ion bombardment (30 keV He+) of the same mixtures. We used in situ Fourier transform infrared (FTIR) spectroscopy to investigate the induced effects. Results: The results indicate that ionic species such as HSO, HSO, and S2O are easily produced. Energetic processing also produces SO3 polymers and a sulfurous refractory residue. Conclusions: The produced ionic species exhibit spectral features in a region that, in astronomical spectra of dense molecular clouds, is dominated by strong silicate absorption. However, such a dominant feature is associated with some spectral features, some of which have not yet been identified. We suggest adding the sulfur-bearing ionic species to the list of candidates to help explain some of those features. In addition, we suggest that once expelled in the gas phase by sublimation, due to the temperature increase, and/or by non-thermal erosion those species would constitute a class of molecular ions not detected so far. We also suggest that molecular sulfur-bearing ions could be present on the surfaces and/or in the atmospheres of several objects in the solar system, for example icy satellites of the giant planets and comets.
Published: 2017

28. Multiple electron capture from isolated protein poly-anions in collision with slow highly charged ions

Author: Alexandre Giuliani, Bernd A. Huber, Alicja Domaracka, Patrick Rousseau, A. R. Milosavljevic, Synchrotron SOLEIL, Institute of Physics Belgrade, University of Belgrade [Belgrade], Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Centre National de la Recherche Scientifique (CNRS), Département Caractérisation et Elaboration des Produits Issus de l'Agriculture (CEPIA), Institut National de la Recherche Agronomique (INRA), ANR, France [BLAN08-1_348053], ESF/COST Action [CM1204], MESTD of Republic of Serbia [171020], Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), and Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN)
Subjects: gas-phase, Ion beam, Electron capture, Polymers, [SDV]Life Sciences [q-bio], General Physics and Astronomy, Electrons, 02 engineering and technology, Electron, 010402 general chemistry, Mass spectrometry, 01 natural sciences, Ion, Tandem Mass Spectrometry, Ionization, fragmentation, ionization, selective photoelectron-spectroscopy, Physical and Theoretical Chemistry, Quadrupole ion trap, photoionization, Chemistry, Highly charged ion, Cytochromes c, excitation, mass-spectrometry, transfer dissociation, 021001 nanoscience & nanotechnology, Polyelectrolytes, 0104 chemical sciences, peptides, Atomic physics, 0210 nano-technology, energy
Abstract: Collisions of 375 keV Xe25+ ions with trapped mass/charge selected poly-anions of the cytochrome C protein (similar to 12.5 kDa) were studied by coupling a linear quadrupole ion trap with low-energy ion beam facility. Tandem mass spectra were recorded for the protein precursor charge states ranging from -9 to -17. The present work reports the first study of slow highly charged ion collisions with poly-anions. A high signal to noise ratio allowed the study of the intensity of single and multiple electron removal by a projectile, as well as associated neutral losses, as a function of the target charge state. Relative single and double electron detachment cross sections were found to increase with increasing charge state of the precursor anion. The experimental findings are supported by the calculations of the total electron capture cross sections, based on the classical over-the-barrier model, restricted to a simple uniformly charged linear protein structure and a near-end electron capture.
Published: 2017

29. Ion processing of ices and the origin of SO2 and O3 on the icy surfaces of the icy jovian satellites

Author: Rosario Brunetto, Alicja Domaracka, Z. Kaňuchová, J. J. Ding, Maria Elisabetta Palumbo, Hermann Rothard, Giovanni Strazzulla, Ph. Boduch, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Institut d'astrophysique spatiale (IAS), Université Paris-Sud - Paris 11 (UP11)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Astronomical Institute of the Slovak Academy of Sciences, Slovak Academy of Science [Bratislava] (SAS), INAF - Osservatorio Astrofisico di Catania (OACT), Istituto Nazionale di Astrofisica (INAF), ITA, FRA, SVK, Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Université Paris-Sud - Paris 11 (UP11)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Centre National d’Études Spatiales [Paris] (CNES)
Subjects: Materials science, 010504 meteorology & atmospheric sciences, [SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph], Analytical chemistry, chemistry.chemical_element, Astronomy and Astrophysics, Icy moon, 01 natural sciences, Sulfur, Spectral line, Ion, Jupiter, Ion implantation, chemistry, 13. Climate action, Space and Planetary Science, Absorption band, 0103 physical sciences, Radiolysis, Atomic physics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences
Abstract: We present new experimental results relative to 144 keV S 9 + or Ar 9 + ion implantation in targets made of oxygen rich frozen gases (O2, CO2) and mixtures with water ice. Spectra in the UV (200–400 nm) range have been obtained before and after implantation. The targets have been selected because they can be representative of the parent molecules from which SO2 and O3, observed to be present on the surfaces of Jupiter’s icy Moons, could be formed due to radiolysis induced by the abundant magnetospheric ions. The results indicate that sulfur dioxide is not detectable after sulfur implantation in oxygen bearing species. Ozone is formed after argon and sulfur ion implantation. Sulfur implantation in O2 and CO2 targets also induces the formation of a band centered at about 255 nm (that we tentatively attribute to SO3 − radicals). In the mixtures with water the band appears initially at the same wavelength and shifts to about 247 nm at higher ion fluences possibly indicating the formation of sulfite (HSO3 − ) ions. An absorption band observed on Ganymede is well fitted by using three components: ozone, sulfite ions and a not identified component having an absorption band centered at 298 nm. In all of the studied cases ion implantation produces a spectral reddening over the investigated spectral range (200–400 nm) that well mimics the observed spectral slopes of Jupiter’s icy satellites.
Published: 2016

30. Implantation of multiply charged sulfur ions in water ice

Author: S. Guillous, J. J. Ding, Alicja Domaracka, Giovanni Strazzulla, Hermann Rothard, Maria Elisabetta Palumbo, X. Y. Lv, Philippe Boduch, T. Langlinay, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), INAF - Osservatorio Astrofisico di Catania (OACT), Istituto Nazionale di Astrofisica (INAF), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Range (particle radiation), Materials science, 010504 meteorology & atmospheric sciences, Ion beam, Analytical chemistry, chemistry.chemical_element, Astronomy and Astrophysics, Sulfuric acid, 01 natural sciences, 7. Clean energy, Sulfur, Ion, chemistry.chemical_compound, Ion implantation, chemistry, 13. Climate action, Space and Planetary Science, 0103 physical sciences, Irradiation, Atomic physics, Fourier transform infrared spectroscopy, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences
Abstract: Sulfuric acid has been suggested to be present on the surface of the jovian moon Europa where it is mixed with the dominant water ice. The formation mechanism of sulfuric acid is still under discussion. We present new experimental results on the implantation of S q + ( q = 7, 9, 11) ions at an energy range between 35 and 176 keV in water ice at 80 K. Previous results on 200 keV S + implantation in H 2 O at 80 K have also been included in the data analysis. Experiments with multiply-charged ions at different energies are particularly relevant to simulate the complexity of the irradiation environment to which the surface of Europa is exposed being embedded in the jovian magnetosphere. The experiments were performed at the low energy ion beam facility ARIBE of GANIL in Caen (France). 35–176 keV S q + ( q = 7, 9, 11) ions were implanted in solid H 2 O layers which were frozen at 80 K. Fourier Transform Infrared Spectrometry (FTIR) was used to analyze the sample in the 5000–600 cm −1 (2–16.7 μm) region with a spectral resolution of 1 cm −1 . The results of our experiments indicate that implantation produces hydrated sulfuric acid with yields that increase with ion energy, from 0.12 molecules ion −1 for 35 keV ions to 0.64 molecules ion −1 for 200 keV ions. We have also searched for the production of SO 2 and H 2 S, but we were not able to find any evidence for their synthesis. We conclude that sulfur ion implantation is the dominant formation mechanism of hydrated sulfuric acid at Europa. The suggestion that the observed distribution of sulfuric acid on the surface is well correlated with the local flux of sulfur ions find a full explanation by present experimental data.
Published: 2013

31. Cosmic ray–ice interaction studied by radiolysis of 15 K methane ice with MeV O, Fe and Zn ions

Author: C. Mejía, Philippe Boduch, Alicja Domaracka, E. F. da Silveira, Hermann Rothard, Vinicius Bordalo, A. L. F. de Barros, Centro Federal de Educação Tecnológica Celso Suckow da Fonseca (Rio de Janeiro) ( CEFET/RJ), Pontifical Catholic University of Rio de Janeiro (PUC), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Astrochemistry, 010504 meteorology & atmospheric sciences, Infrared, Analytical chemistry, Cosmic ray, 7. Clean energy, 01 natural sciences, Methane, Ion, chemistry.chemical_compound, 0103 physical sciences, Spectroscopy, 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, Physics, [SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph], Astronomy and Astrophysics, Interstellar medium, chemistry, [SDU]Sciences of the Universe [physics], 13. Climate action, Space and Planetary Science, Radiolysis, Atomic physics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]
Abstract: Methane (CH4) ice is found in the interstellar medium and in several bodies of the Solar system, where it is commonly exposed to cosmic rays and stellar winds. The chemical, physical and structural effects induced by fast heavy ions in thin layers of pure CH4 ices at 15 K are analysed by mid-infrared spectroscopy (Fourier transform infrared). Different pure CH4 ice samples were irradiated with 6 MeV 16 O 2 + , 220 MeV 16 O 7 + , 267 MeV 56 Fe 22 + and 606 MeV 70 Zn 26 + ions at Grand Acc´´ National d’Ions Lourds/France. Results show that CnHm molecules, where n = 2–4 and m = 2(n − 1) to 2(n + 1) and radical species CH3 ,C 2H3 and C2H5 are formed. The destruction cross-sections of CH4 ice and the formation cross-sections of new molecules CnHm are reported. The extrapolation of current results allow us to estimate the half lives of CH4 ices in the interstellar medium and the Solar system (Earth orbit) as about 600 × 10 6 and 600 yr, respectively. This huge ratio strongly suggests that the vast majority of
Published: 2013

32. Determination of Energy-Transfer Distributions in Ionizing Ion-Molecule Collisions

Author: Manuel Alcamí, Patrick Rousseau, Paola Bolognesi, R. Delaunay, Alicja Domaracka, Lorenzo Avaldi, Lamri Adoui, Sergio Díaz-Tendero, Bernd A. Huber, Sylvain Maclot, Fernando Martín, Dariusz G. Piekarski, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid, Departamento de Qímica, CNR-ISM, UAM. Departamento de Química, and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Experimental techniques, General Physics and Astronomy, Delocalizations, 02 engineering and technology, Photoionization, 01 natural sciences, Dissociation (chemistry), Ion, Delocalized electron, Fragmentation (mass spectrometry), Ionization, 0103 physical sciences, Physics::Atomic and Molecular Clusters, 010306 general physics, Physics, Ionizing Ion-Molecule Collisions, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Química, 021001 nanoscience & nanotechnology, Charge localization, Dissociation pathways, Excited state, Mass spectrum, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Atomic physics, 0210 nano-technology
Abstract: The ionization and fragmentation of the nucleoside thymidine in the gas phase has been investigated by combining ion collision with state-selected photoionization experiments and quantum chemistry calculations. The comparison between the mass spectra measured in both types of experiments allows us to accurately determine the distribution of the energy deposited in the ionized molecule as a result of the collision. The relation of two experimental techniques and theory shows a strong correlation between the excited states of the ionized molecule with the computed dissociation pathways, as well as with charge localization or delocalization, We thank F. Noury, S. Guillous, R. Richter, M. Coreno, and K. Prince for support as well as L. J. Avaldi for advice in the statistical analysis of the data. We acknowledge the allocation of computer time at the Centro de Computación Científica at the Universidad Autónoma de Madrid (CCCUAM). This work was partially supported by the projects FIS2013-42002-R and CTQ2013-43698-P (MINECO), NANOFRONTMAG (CAM), PHC Galilée 28137PE, and an Advanced Grant of the European Research Council XCHEM No. 290853. Research was conducted in the framework of the International Associated Laboratory (LIA) “Fragmentation dynamics of complex molecular systems—DYNAMO” and in the COST actions XLIC (CM1204) and Nano-IBCT (MP1002). D. G. P. acknowledges the FPI grant of the Universidad Autónoma de Madrid. S. D.-T. gratefully acknowledges the “Ramón y Cajal” program of the Spanish Ministerio de Educación y Ciencia
Published: 2016

33. The role of the environment in the ion induced fragmentation of uracil

Author: Paola Bolognesi, Jaroslav Kočišek, R. Delaunay, Mattea Carmen Castrovilli, Sylvain Maclot, Bernd A. Huber, Patrick Rousseau, Pal Markush, Antonella Cartoni, Lorenzo Avaldi, Alicja Domaracka, CNR-ISM, Department of Chemistry University 'La Sapienza', Università degli Studi di Roma 'La Sapienza' = Sapienza University [Rome] (UNIROMA), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Università degli Studi di Roma 'La Sapienza' = Sapienza University [Rome], and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: physics and astronomy (all), physical and theoretical chemistry, electron attachment, photodissociation, attachment DEA, General Physics and Astronomy, Collisions of ions and atomic/molecular targets, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Ion, chemistry.chemical_compound, Fragmentation (mass spectrometry), Computational chemistry, Molecule, uracil, Physical and Theoretical Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Fragmentation dynamics, Uracil, 021001 nanoscience & nanotechnology, 0104 chemical sciences, chemistry, Biomolecular clusters, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology
Abstract: International audience; The fragmentation of uracil molecules and pure and nano-hydrated uracil clusters by 12C4+ ion impact is investigated. This work focuses on the fragmentation behavior of complex systems and the effect of the environment. On the one hand, it is found that the environment in the form of surrounding uracil or water molecules has a significant influence on the fragmentation dynamics, providing an overall ‘protective’ effect, while on the other hand we observe the opening of specific fragmentation channels. In particular, we report on the first observation of a series of hydrated fragments. This indicates a strong interaction between uracil and water molecules, holding the water clusters bound to the observed molecular fragments.
Published: 2016

34. Formation of unsaturated hydrocarbons in interstellar ice analogues by cosmic rays

Author: Diana P. P. Andrade, Philippe Boduch, Hermann Rothard, E. F. da Silveira, Sergio Pilling, and Alicja Domaracka
Subjects: Physics, Astrochemistry, Cyclohexane, Interstellar ice, Cyclohexene, Astronomy and Astrophysics, Aromaticity, 010402 general chemistry, Mass spectrometry, 01 natural sciences, 0104 chemical sciences, Ion, chemistry.chemical_compound, chemistry, Space and Planetary Science, Hexene, 0103 physical sciences, Physical chemistry, 010303 astronomy & astrophysics
Abstract: The formation of C=C and C≡C bonds from the processing of pure c-C6H12 (cyclo- hexane) and mixed H2O:NH3:c-C6H12 (1:0.3:0.7) ices by highly-charged, and energetic ions (219 MeV 16 O 7+ and 632 MeV 58 Ni 24+ ) is studied. The experiments simulate the physical chemistry induced by medium-mass and heavy-ion cosmic rays in interstellar ices analogs. The measurements were performed inside a high vacuum chamber at the heavy-ion acceler- ator GANIL (Grand Accelerateur National d'Ions Lourds) i n Caen, France. The gas samples were deposited onto a polished CsI substrate previously cooled to 13 K. In-situ analysis was performed by a Fourier transform infrared (FTIR) spectrometry at different ion fluences. Dis- sociation cross section of cyclohexane and its half-life in astrophysical environments were determined. A comparison between spectra of bombarded ices and young stellar sources in- dicates that the initial composition of grains in theses env ironments should contain a mixture of H2O, NH3, CO (or CO2), simple alkanes, and CH3OH. Several species containing double or triple bounds were identified in the radiochemical produc ts, such as hexene, cyclohexene, benzene, OCN − , CO, CO2, as well as several aliphatic and aromatic alkenes and alkynes. The results suggest an alternative scenario for the product ion of unsaturated hydrocarbons and possibly aromatic rings (via dehydrogenation processes) in interstellar ices induced by cosmic ray bombardment.
Published: 2012

35. Low-energy ions interacting with anthracene molecules and clusters

Author: J. Y. Chesnel, Henning Zettergren, Alicja Domaracka, Lamri Adoui, Patrick Rousseau, Henrik Cederquist, Jimmy Rangama, Anne I. S. Holm, Stefan Rosén, A. Méry, Bruno Manil, E. Lattouf, Henning T. Schmidt, Bernd A. Huber, R. Maisonny, Sylvain Maclot, M. Capron, H. A. B. Johansson, A. Ławicki, F. Seitz, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Department of Physics [Stockholm], Stockholm University, Laboratoire de Physique des Lasers (LPL), Université Paris 13 (UP13)-Centre National de la Recherche Scientifique (CNRS), AlbaNova University Center, Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), and Normandie Université (NU)
Subjects: [PHYS]Physics [physics], Nuclear and High Energy Physics, Chemical ionization, Anthracene, Photochemistry, 01 natural sciences, 7. Clean energy, Molecular physics, Ion, chemistry.chemical_compound, Monomer, chemistry, Fragmentation (mass spectrometry), Ionization, 0103 physical sciences, Molecule, 010306 general physics, 010303 astronomy & astrophysics, Instrumentation, ComputingMilieux_MISCELLANEOUS, Electron ionization
Abstract: The interaction of slow ions ( v ∼ 0.4 a.u. ) with a small polycyclic aromatic hydrocarbon, namely anthracene (C 14 H 10 ), is studied in the gas-phase either with the isolated molecule or with a pure cluster target. We discuss the ionization and fragmentation of the molecule with respect to the projectile charge state, i.e. for singly charged He + ions and for multiply charged Xe 20+ ions. For the isolated C 14 H 10 , single or multiple ionization of the molecule occurs under ion impact. The (multi) cation relative yields are compared with those obtained by other ionization methods (electron and fs-laser). The molecular dissociation occurs by loss of hydrogen and small hydrocarbon molecules, leading to the formation of C n H x cations. The interaction of Xe 20+ with C 14 H 10 clusters gives surprising results, i.e. the emission of hotter monomer compared to the interaction with He + .
Published: 2012

36. Radiolysis and sputtering of carbon dioxide ice induced by swift Ti, Ni, and Xe ions

Author: Alicja Domaracka, Ph. Boduch, X. Y. Lv, Vinicius Bordalo, Markus Bender, Christina Trautmann, Daniel Severin, R. Martinez, C. Mejia, Hermann Rothard, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Helmholtz zentrum für Schwerionenforschung GmbH (GSI), Federal University of Amapà, Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Nuclear and High Energy Physics, Absorption spectroscopy, [SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph], Chemistry, Analytical chemistry, Radiation chemistry, 7. Clean energy, 01 natural sciences, Fluence, Ion, Interstellar medium, 13. Climate action, Sputtering, 0103 physical sciences, Radiolysis, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Stopping power (particle radiation), ddc:530, Atomic physics, 010306 general physics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 010303 astronomy & astrophysics, Instrumentation, ComputingMilieux_MISCELLANEOUS
Abstract: Solid carbon dioxide (CO2) is found in several bodies of the solar system, the interstellar medium (ISM) and young stellar objects, where it is exposed to cosmic and stellar wind radiation. Here, the chemical and physical modifications induced by heavy ion irradiation of pure solid CO2 at low temperature (T = 15–30 K) are analyzed. The experiments were performed with Ti (550 MeV) and Xe (630 MeV) ions at the UNILAC of GSI/Darmstadt and with Ni ions (46 and 52 MeV) at IRRSUD of GANIL/Caen. The evolution of the thin CO2 ice films (deposited on a CsI window) was monitored by mid-infrared absorption spectroscopy (FTIR). The dissociation rate of CO2, determined from the fluence dependence of the IR absorption peak intensity, is found to be proportional to the electronic stopping power Se. We also confirm that the sputtering yield shows a quadric increase with electronic stopping power. Furthermore, the production rates of daughter molecules such as CO, CO3 and O3 were found to be linear in Se.
Published: 2015

37. Radiolysis of frozen methanol by heavy cosmic ray and energetic solar particle analogues

Author: E. F. da Silveira, Alicja Domaracka, Philippe Boduch, Diana P. P. Andrade, Hermann Rothard, and A. L. F. de Barros
Subjects: Physics, Astrochemistry, Ion beam, Hydrogen, Analytical chemistry, chemistry.chemical_element, Infrared spectroscopy, Astronomy and Astrophysics, Dissociation (chemistry), Ion, chemistry, Space and Planetary Science, Radiolysis, Astrophysics::Earth and Planetary Astrophysics, Irradiation, Atomic physics, Astrophysics::Galaxy Astrophysics
Abstract: The chemical and physical effects induced by fast heavy ion irradiation on frozen pure methanol (CH3OH) at 15 K were studied. These energetic ions can simulate the energy transfer processes that occur by cosmic ray irradiation of interstellar ices, comets and icy Solar system bodies. The analysis was made by infrared spectroscopy (Fourier transform infrared) before and after irradiation, with 16-MeV 16O5+, 220-MeV 16O7+, 606-MeV 65Zn20+ and 774-MeV 86Kr31+ ion beams. Integrated values of the absorbance of the main methanol bands were determined. The induced CH3OH dissociation gives rise to the formation of molecular species, particularly H2CO, CH2OH, CH4, CO, CO2, HCO and HCOOCH3. Their formation and dissociation cross-sections were determined. H2CO and CH4 molecules are in general the most abundant new products of the four beams analysed. Except for the HCO and CH2OH species, cross-sections increased with the electronic stopping power, roughly as σ∼S3/2e. The G values for CH3OH destruction by fast heavy ion irradiation with Zn and Kr beams were found to be considerably larger than those for oxygen, helium or hydrogen. As an astrophysical implication, the S3/2e power law should be very helpful for predicting the CH3OH formation and dissociation cross-sections for other ion beam projectiles and energies. As astrophysical point of view, the analysis of the predictions reveals the unexpected importance of iron and some other heavy ion constituents of cosmic rays in astrochemistry.
Published: 2011

38. Destruction of CO ice and formation of new molecules by irradiation with 28keV O6+ ions

Author: Philippe Boduch, Alicja Domaracka, E. F. da Silveira, E. Seperuelo Duarte, A. L. F. de Barros, L. S. Farenzena, and Hermann Rothard
Subjects: Nuclear and High Energy Physics, Astrochemistry, Sputtering, Chemistry, Analytical chemistry, Molecule, Astrophysics::Earth and Planetary Astrophysics, Irradiation, Fourier transform infrared spectroscopy, Instrumentation, Fluence, Dissociation (chemistry), Ion
Abstract: The effect of solar wind on cometary ice was studied by using oxygen ions with energy near to that corresponding to their maximum abundance in space for bombarding CO ice. This gas was condensed on a CsI substrate at 14 K and irradiated by 28 keV 18O6+ ions up to a final fluence of 1.3 × 1016 cm−2. We have used a methodology in which the sputtering yields, the destruction rate of CO, and the rate of formation of new molecular species are determined by Fourier transform infrared spectroscopy (FTIR). In the current experiment, the condensation of a thin water ice film has prevented the CO sputtering. Quantities such as the dissociation yield, Yd (the number of ice molecules destroyed or dissociated per projectile impact), and the formation yield, Yf (the number of daughter molecules of a given species formed per projectile) are found to be more appropriate and useful than using an integrated or average cross section, since the projectiles are slowing down in the ice from their initial energy until zero velocity (implantation).
Published: 2011

39. Infrared study of astrophysical ice analogues irradiated by swift nickel ions

Author: E. F. da Silveira, Alicja Domaracka, Emmanuel Dartois, L. S. Farenzena, Sergio Pilling, Ph. Boduch, J.M. Ramillon, Hermann Rothard, and E. Seperuelo Duarte
Subjects: Physics, Nuclear and High Energy Physics, Solar System, Range (particle radiation), Infrared, Cosmic ray, Ion, Interstellar medium, Sputtering, Astrophysics::Earth and Planetary Astrophysics, Irradiation, Atomic physics, Nuclear Experiment, Instrumentation, Physics::Atmospheric and Oceanic Physics
Abstract: Water, carbon oxide, carbon dioxide, and ammonia ices are known to be pervasive constituents of the solar system and the interstellar medium. These ices and ice-covered surfaces are exposed to bombardment by energetic projectiles like photons, electrons, and ions. Laboratory experiments have been carried out to study the effects of such irradiation. However, there is a clear lack of information about the interaction of heavy ion components of solar/stellar wind and galactic cosmic rays (e.g. Fe) with ices in the keV to GeV energy range. The objective of this work is to study the effects produced in astrophysical ices by highly charged nickel ions at relatively high energy (∼50–500 MeV) in the electronic energy loss regime, and to compare them with those produced by protons, photons, and electrons. Our results for CO 2 and CO indicate that sputtering induced by heavy ions can be an important mechanism to desorb molecules in astrophysical environments.
Published: 2010

40. A tandem mass spectrometer for crossed-beam irradiation of mass-selected molecular systems by keV atomic ions

Author: Jean-Christophe Poully, Alicja Domaracka, Patrick Rousseau, Lamri Adoui, Bernd A. Huber, Mathieu Lalande, Jimmy Rangama, Jean-Yves Chesnel, Sylvain Maclot, Violaine Vizcaino, A. Méry, Lucas Schwob, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Spectrometry, Mass, Electrospray Ionization, Materials science, Ion beam, Electrospray ionization, Electrons, 02 engineering and technology, 010402 general chemistry, Mass spectrometry, Helium, Proof of Concept Study, 01 natural sciences, Ion, Fragmentation (mass spectrometry), Tandem Mass Spectrometry, Physics::Plasma Physics, Ionization, [PHYS.PHYS.PHYS-INS-DET]Physics [physics]/Physics [physics]/Instrumentation and Detectors [physics.ins-det], Instrumentation, ComputingMilieux_MISCELLANEOUS, Ions, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Equipment Design, equipment and supplies, 021001 nanoscience & nanotechnology, Ion source, 0104 chemical sciences, Kinetics, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Gases, Ion trap, Atomic physics, 0210 nano-technology, Enkephalin, Leucine
Abstract: In the present paper, we describe a new home-built crossed-beam apparatus devoted to ion-induced ionization and fragmentation of isolated biologically relevant molecular systems. The biomolecular ions are produced by an electrospray ionization source, mass-over-charge selected, accumulated in a 3D ion trap, and then guided to the extraction region of an orthogonal time-of-flight mass spectrometer. Here, the target molecular ions interact with a keV atomic ion beam produced by an electron cyclotron resonance ion source. Cationic products from the collision are detected on a position sensitive detector and analyzed by time-of-flight mass spectrometry. A detailed description of the operation of the setup is given, and early results from irradiation of a protonated pentapeptide (leucine-enkephalin) by a 7 keV He+ ion beam are presented as a proof-of-principle.
Published: 2018

41. Chemistry induced by low-energy electrons in condensed multilayers of pure small organic acids

Author: Isabel Martin, A. Lafosse, A. Domaracka, M. Bertin, Roger Azria, and Eugen Illenberger
Subjects: chemistry.chemical_classification, Range (particle radiation), Decarboxylation, Formic acid, Carboxylic acid, High resolution electron energy loss spectroscopy, Condensed Matter Physics, Photochemistry, Ion, chemistry.chemical_compound, chemistry, Trifluoroacetic acid, Irradiation, Physical and Theoretical Chemistry, Instrumentation, Spectroscopy
Abstract: Electron-induced decarboxylation in condensed films of formic acid HCOOH, partially deuterated acetic acid CH3COOD and trifluoroacetic acid CF3COOH, has been studied in the energy range 0.7–20 eV by high resolution electron energy loss spectroscopy (HREELS). The yield of carbon dioxide formation shows a peak around 1 eV irradiation energy associated with a resonant mechanism involving the transient negative ion [RCOOH] #− and an essentially non-resonant contribution increasing with irradiation energy above an onset located in the range 6–9 eV, depending on the carboxylic acid under consideration. The remarkable point of this study is that it is possible to selectively control the decarboxylation reaction by tuning the electron energy of irradiation.
Published: 2008

42. Unusual hydrogen and hydroxyl migration in the fragmentation of excited doubly-positively-charged amino acids in the gas phase

Author: Bernd A. Huber, Dariusz G. Piekarski, Sergio Díaz-Tendero, R. Delaunay, Fernando Martín, Alicja Domaracka, Patrick Rousseau, Sylvain Maclot, Manuel Alcamí, Lamri Adoui, and UAM. Departamento de Química
Subjects: chemistry.chemical_classification, History, Hydrogen, Mass spectrometry, Coulomb explosion, Chemistry, chemistry.chemical_element, Química, Condensed matter physics, Computer Science Applications, Education, Gas phase, Ion, Amino acid, Fragmentation (mass spectrometry), Chemical physics, Computational chemistry, Excited state, Molecule, Amino acids, Gases, Nuclear Experiment
Abstract: We present a combined experimental and theoretical study of the fragmentation of doubly-positively- charged amino acids in the gas phase. The combination of ab initio molecular dynamics simulations with ion- molecule collisions followed by multiple-coincidence mass spectrometric techniques, allows us to obtain a complete picture of the fragmentation dynamics. In addition to the expected Coulomb explosion, we have found evidence of hydrogen and hydroxyl-group migration processes, which leads to unusual fragmentation products.
Published: 2015

43. N-Acetylglycine Cation Tautomerization Enabled by the Peptide Bond

Author: R. Delaunay, Lamri Adoui, Alicja Domaracka, Jaroslav Kočišek, Manuel Alcamí, Patrick Rousseau, Sergio Díaz-Tendero, Fernando Martín, Janina Kopyra, Dariusz G. Piekarski, Bernd A. Huber, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid, Departamento de Qímica, Siedlce University of Natural Sciences and Humanities, Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Biomolecules, Quantitative Biology::Biomolecules, Molecular Structure, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Glycine, Collisions of ions and atomic/molecular targets, Tautomer, Peptide Fragments, Ion, Microsecond, Peptide bond, Fragmentation (mass spectrometry), Models, Chemical, Computational chemistry, Fragmentation, Ionization, Cations, Molecule, Quantum Theory, Density functional theory, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Tautomerization
Abstract: International audience; We present a combined experimental and theoretical study of the ionization of N-acetylglycine molecules by 48 keV O6+ ions. We focus on the single ionization channel of this interaction. In addition to the prompt fragmentation of the N-acetylglycine cation, we also observe the formation of metastable parent ions with lifetimes in the microsecond range. On the basis of density functional theory calculations, we assign these metastable ions to the diol tautomer of N-acetylglycine. In comparison with the simple amino acids, the tautomerization rate is higher because of the presence of the peptide bond. The study of a simple biologically relevant molecule containing a peptide bond allows us to demonstrate how increasing the complexity of the structure influences the behavior of the ionized molecule.
Published: 2015

44. Molecular Growth Inside of Polycyclic Aromatic Hydrocarbon Clusters Induced by Ion Collisions

Author: Henrik Cederquist, Fernando Martín, Henning Zettergren, Mark H. Stockett, Sylvain Maclot, Bernd A. Huber, Tao Chen, Patrick Rousseau, Yang Wang, R. Delaunay, Alicja Domaracka, Michael Gatchell, Lamri Adoui, Manuel Alcamí, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Department of Physics [Stockholm], Stockholm University, Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid, Departamento de Qímica, Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Polycyclic aromatic hydrocarbon, Collisions of ions and atomic/molecular targets, 01 natural sciences, 7. Clean energy, Ion, Molecular dynamics, chemistry.chemical_compound, Saturn, 0103 physical sciences, Cluster (physics), Molecule, General Materials Science, Physical and Theoretical Chemistry, 010306 general physics, 010303 astronomy & astrophysics, Physics, chemistry.chemical_classification, Polycyclic Aromatic Hydrocarbons PAHs, Reactivity, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], chemistry, 13. Climate action, Chemical physics, Cluster, Yield (chemistry), Pyrene, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Atomic physics
Abstract: International audience; The present work combines experimental and theoretical studies of the collision between keV ion projectiles and clusters of pyrene, one of the simplest polycyclic aromatic hydrocarbons (PAHs). Intracluster growth processes induced by ion collisions lead to the formation of a wide range of new molecules with masses larger than that of the pyrene molecule. The efficiency of these processes is found to strongly depend on the mass and velocity of the incoming projectile. Classical molecular dynamics simulations of the entire collision process—from the ion impact (nuclear scattering) to the formation of new molecular species—reproduce the essential features of the measured molecular growth process and also yield estimates of the related absolute cross sections. More elaborate density functional tight binding calculations yield the same growth products as the classical simulations. The present results could be relevant to understand the physical chemistry of the PAH-rich upper atmosphere of Saturn’s moon Titan.
Published: 2015

45. Compaction of porous ices rich in water by swift heavy ions

Author: C. Mejía, Philippe Boduch, A. L. F. de Barros, Emmanuel Dartois, Alicja Domaracka, E. F. da Silveira, Hermann Rothard, E. Seperuelo Duarte, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Departamento de Disciplinas Basicas e Gerais (CEFET-RJ), CEFET-RJ, Pontifical Catholic University of Rio de Janeiro (PUC), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), and Normandie Université (NU)
Subjects: Materials science, Ion beam, [SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph], Compaction, Analytical chemistry, Dangling bond, Infrared spectroscopy, Astronomy and Astrophysics, 01 natural sciences, Ion, Absorbance, 13. Climate action, Space and Planetary Science, 0103 physical sciences, Irradiation, Atomic physics, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics, Spectroscopy, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS
Abstract: Porous water ice and water ice mixtures H 2 O:X (X = CO, CO 2 and CH 4 ) produced at 15 K, with film thicknesses in the 0.5–1 μm range, were irradiated by swift ions and monitored by mid-infrared spectroscopy (FTIR). The analysis of the evolution of the pure water ice infrared absorption on ion beam dose reveals a strong correlation among three quantities: (i) the absorbance of the most intense band (3250 cm −1 ), (ii) the wavelength of the maximum absorbance of this band and (iii) the absorbance of the OH-dangling bonds. This correlation is interpreted as indications of the water ice compaction by irradiation: as the beam fluence increases, the ice porosity decreases, the dangling bond peaks collapse and the area and position of the 3250 cm −1 band vary exponentially, all of them evolving with the same compaction cross section ( σ c ). The linear dependence σ c ∝ S e ( S e being the electronic stopping power) is observed for both pure and mixed water ices, confirming previous results. We suggests that the infrared absorption A -value varies with dose as ( 1 - ζ e - D / D 0 ) during the compaction process ( D 0 = 0.2 eV/molec being the effective energy density to eliminate the OH-db, and ζ is a parameter characterizing the porosity). These findings may be used as a diagnostic tool to probe the morphology of water ices occurring in the outer Solar System and in the ISM.
Published: 2015

46. Formation of H2 from internally heated polycyclic aromatic hydrocarbons: Excitation energy dependence

Author: Alexander G. G. M. Tielens, Mark H. Stockett, Lamri Adoui, Henning T. Schmidt, Alicja Domaracka, Henning Zettergren, R. Delaunay, Tao Chen, Henrik Cederquist, Bernd A. Huber, Michael Gatchell, Elisabetta R. Micelotta, Patrick Rousseau, Department of Physics [Stockholm], Stockholm University, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Institut astrophysique spatiale (IAS), Université Paris-Sud - Paris 11 (UP11), Leiden Observatory [Leiden], Universiteit Leiden [Leiden], Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Universiteit Leiden
Subjects: Hydrogen, General Physics and Astronomy, chemistry.chemical_element, Collisions of ions and atomic/molecular targets, Astrophysics::Cosmology and Extragalactic Astrophysics, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Ion, Fragmentation, 0103 physical sciences, Molecule, Collisions, Physical and Theoretical Chemistry, Absorption (electromagnetic radiation), 010303 astronomy & astrophysics, Astrophysics::Galaxy Astrophysics, Polycyclic Aromatic Hydrocarbons PAHs, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Lyman limit, 0104 chemical sciences, chemistry, Excited state, Mass spectrum, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Atomic physics, Excitation
Abstract: International audience; We have investigated the effectiveness of molecular hydrogen (H-2) formation from Polycyclic Aromatic Hydrocarbons (PAHs) which are internally heated by collisions with keV ions. The present and earlier experimental results are analyzed in view of molecular structure calculations and a simple collision model. We estimate that H-2 formation becomes important for internal PAH temperatures exceeding about 2200 K, regardless of the PAH size and the excitation agent. This suggests that keV ions may effectively induce such reactions, while they are unlikely due to, e.g., absorption of single photons with energies below the Lyman limit. The present analysis also suggests that H-2 emission is correlated with multi-fragmentation processes, which means that the [PAH-2H](+) peak intensities in the mass spectra may not be used for estimating H-2-formation rates.
Published: 2015

47. Charge and energy flows in ionised thymidine

Author: Paola Bolognesi, Sylvain Maclot, Alicja Domaracka, Lamri Adoui, Lorenzo Avaldi, Dariusz G. Piekarski, Sergio Díaz-Tendero, Fernando Martín, R. Delaunay, M Alcamf, Patrick Rousseau, Bernd A. Huber, and UAM. Departamento de Química
Subjects: Ionization, History, Photon, Energy flow, Chemistry, Fragmentation dynamics, Química, Condensed matter physics, Quantum chemistry, Electron spectroscopy, Charged particle, Computer Science Applications, Education, Ion, Heavy Particle - Condensed Matter and Large Cluster / Molecule and Small Cluster, Gasphase, Fragmentation (mass spectrometry), Energy transfer, Atomic physics, Excitation
Abstract: We present a combined experimental and theoretical study of the ionisation and fragmentation of the nucleoside thymidine in the gas phase. Two sources of ionisation/excitation are used, namely UV photons and low-energy multiply charged ions, associated with coincidences measurements, respectively photoelec- tron/photofragment (PEPICO) and fragment/fragment. Coupling these experiments with quantum chemistry calculations, we obtain a complete picture of the fragmentation dynamics, in particular the charge and energy transfers within the molecular edifice.
Published: 2015

48. Effects of the environment on the uracil molecule ionization induced by 12C4+ ion beam

Author: R. Delaunay, Patrick Rousseau, Sylvain Maclot, P. Markush, J Kocisek, Bernd A. Huber, P Bolognesi, Alicja Domaracka, L Avaldi, Antonella Cartoni, and Mattea Carmen Castrovilli
Subjects: Quantitative Biology::Biomolecules, History, Ion beam, Analytical chemistry, Uracil, Photochemistry, Mass spectrometry, physics and astronomy (all), electron attachment, photodissociation, attachment DEA, Quantitative Biology::Genomics, Computer Science Applications, Education, Ion, chemistry.chemical_compound, chemistry, Fragmentation (mass spectrometry), Ionization, Mass spectrum, Molecule, heterocyclic compounds, Photon - Molecule and Small Cluster, Nuclear Experiment
Abstract: In this study the fragmentation of isolated uracil molecules, uracil clusters and hydrated uracil clusters induced by 12 C 4+ ions at 36 keV energy has been investigated. The mass spectra obtained by a TOF mass spectrometer are analyzed and compared to each other in order to see how the environment affects the fragmentation dynamics. The main differences between the mass spectra are highlighted and possible fragmentation pathways are proposed.
Published: 2015

49. Ions colliding with mixed clusters ofC60and coronene: Fragmentation and bond formation

Author: Henning Zettergren, Henrik Cederquist, Mark H. Stockett, Bernd A. Huber, A. Méry, Sylvain Maclot, Michael Gatchell, Jean-Yves Chesnel, Tao Chen, Alicja Domaracka, Lamri Adoui, Patrick Rousseau, Henning T. Schmidt, Department of Physics [Stockholm], Stockholm University, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: [PHYS]Physics [physics], Physics, Fullerene, [PHYS.PHYS.PHYS-ATOM-PH]Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph], [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Molecular physics, Atomic and Molecular Physics, and Optics, Coronene, Ion, chemistry.chemical_compound, chemistry, Fragmentation (mass spectrometry), Covalent bond, Ionization, Physics::Atomic and Molecular Clusters, Cluster (physics), Molecule, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Atomic physics, Nuclear Experiment
Abstract: International audience; We have studied collisions between 22.5 keV He2+ ions and mixed clusters [(C60)m(C24H12)n] of m C60 and n coronene molecules where m and n range up to about ten. Surprisingly, the cluster fragmentation behavior in distant collisions is dramatically different for pure coronene clusters (m=0) and clusters containing a single C60 molecule (m=1). In the latter case, the clusters may be ionized without also being fragmented on the experimental time scale of tens of microseconds. This does not occur for pure coronene clusters, but is a main characteristic of pure fullerene clusters. For ion trajectories penetrating the mixed cluster, we observe covalent bond formations between C59 or C58 and C60, but not between coronene fragments and C60, or between C60 fragments and coronene. These results are explained by means of classical molecular dynamics simulations of collisions inside the fragmenting mixed clusters.
Published: 2014

50. Absolute fragmentation cross sections in atom-molecule collisions

Author: Ye Zhang, Michael Gatchell, Sylvain Maclot, John D. Alexander, Alicja Domaracka, Henrik Cederquist, Patrick Rousseau, Henning Zettergren, Mark H. Stockett, Bernd A. Huber, Lamri Adoui, Thomas Schlathölter, Tao Chen, Henning T. Schmidt, R. Delaunay, Quantum interactions and structural dynamics, Department of Physics [Stockholm], Stockholm University, Faculty of Physics [MSU, Moscow], Lomonosov Moscow State University (MSU), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), KVI Atomic and Molecular Physics (KVI), University of Groningen [Groningen], Zernike Institute for Advanced Materials, Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: chemistry.chemical_classification, INFRARED-SPECTRA, IONS, Anthracene, FULLERENES, Hydrogen bond, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], General Physics and Astronomy, Polycyclic aromatic hydrocarbon, Molecular physics, ANTHRACENE, Dissociation (chemistry), Ion, THERMOCHEMISTRY, chemistry.chemical_compound, chemistry, Fragmentation (mass spectrometry), GAS, DENSITY, Atom, Molecule, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Atomic physics, C-60
Abstract: International audience; We present scaling laws for absolute cross sections for non-statistical fragmentation in collisions between Polycyclic Aromatic Hydrocarbons (PAH/PAH(+)) and hydrogen or helium atoms with kinetic energies ranging from 50 eV to 10 keV. Further, we calculate the total fragmentation cross sections (including statistical fragmentation) for 110 eV PAH/PAH(+) + He collisions, and show that they compare well with experimental results. We demonstrate that non-statistical fragmentation becomes dominant for large PAHs and that it yields highly reactive fragments forming strong covalent bonds with atoms (H and N) and molecules (C6H5). Thus nonstatistical fragmentation may be an effective initial step in the formation of, e. g., Polycyclic Aromatic Nitrogen Heterocycles (PANHs). This relates to recent discussions on the evolution of PAHNs in space and the reactivities of defect graphene structures.
Published: 2014

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