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1. Radiolysis of pyridine in solid water

Author

Philippe Boduch, Alicja Domaracka, Prudence C. J. Ada Bibang, Hermann Rothard, Aditya N. Agnihotri, Zuzana Kanuchova, 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), Astronomical Institute of the Slovak Academy of Sciences, Slovak Academy of Science [Bratislava] (SAS), 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, Infrared spectroscopy, 010402 general chemistry, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, chemistry.chemical_compound, chemistry, 13. Climate action, Phase (matter), 0103 physical sciences, Pyridine, Radiolysis, Water environment, Physical chemistry, Molecule, Irradiation, Spectroscopy, 010303 astronomy & astrophysics, [CHIM.RADIO]Chemical Sciences/Radiochemistry
Abstract

We irradiated the complex organic molecule pyridine and mixtures of pyridine and water in the solid phase (thin icy films) at 12 K at different beam lines of the GANIL facility (ARIBE: 90 keV $$\hbox {O}^{\mathrm {6+}}$$ , SME: $$650\, \hbox {MeV Zn}^{\mathrm {26+}})$$ . The destruction of the initial molecule and the appearance of radiolytic products were followed by in-situ infrared absorption spectroscopy as a function of the projectile fluence with the CASIMIR experimental set-up of CIMAP. We measured the destruction cross section as a function of pyridine concentration. A clear dependence on the percentage of pyridine in $$\hbox {H}_{\mathrm {2}}\hbox {O}$$ was found: the destruction cross sections are significantly higher for small concentration, i.e. pure pyridine is more radioresistant than pyridine diluted in water ice at 12 K. Thus, the presence of water environment significantly modifies the radiation resistance of the initial complex organic molecules: it enhances radiosensitivity and destruction of pyridine, with implications for radiobiology and astrochemistry.

Published
2021

2. Roadmap on dynamics of molecules and clusters in the gas phase

Author

Claire Romanzin, Alicja Domaracka, S. D. Tošić, Michael Gatchell, Jaroslav Kočišek, Simon Albertini, Mattea Carmen Castrovilli, Steen Brøndsted Nielsen, Ewa Erdmann, Janina Kopyra, Sylvain Maclot, Daniela Ascenzi, Amanda L. Steber, Klavs Hansen, Marta Łabuda, Christophe Jouvet, Lars H. Andersen, Dariusz G. Piekarski, Manuel Alcamí, Alicia Palacios, Sergio Díaz-Tendero, Henrik Cederquist, Elisabeth Gruber, Lorenzo Avaldi, Paola Bolognesi, Per Johnsson, Yoni Toker, Shirin Faraji, Oded Heber, Annemieke Petrignani, Christina Kjær, A. Candian, Aleksandar R. Milosavljević, Jennifer A. Noble, Paulo Limão-Vieira, Patrick Rousseau, Henning T. Schmidt, Eduardo Carrascosa, Juraj Fedor, Denis S. Tikhonov, Thomas Schlathölter, James N. Bull, Sadia Bari, Henning Zettergren, 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), Zernike Institute for Advanced Materials, University of Groningen [Groningen], Istituto di Struttura della Materia (CNR-ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Department of Theoretical Physics and Quantum Information (DTPQI), ‎ Gdansk University of technology, Institute of Physics [Belgrade], University of Belgrade [Belgrade], Department of Physics (Göthenburg), University of Gothenburg (GU), Department of Physics, Mathematical Physics [Lund], Lund University [Lund], Deutsches Elektronen-Synchrotron [Hamburg] (DESY), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Departamento de Química, Modulo 13, Universidad Autónoma de Madrid, Universidad Autónoma de Madrid (UAM), Institute of Physical Chemistry [Warsaw], Polish Academy of Sciences, Department III, Normandie Université (NU), Department of Physics (DPUT), University of Trento [Trento], Institut de Chimie Physique (ICP), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Siedlce University of Natural Sciences and Humanities, Centro de Física e Investigação Tecnológica [Lisboa] (CEFITEC), Departamento de Fìsica [Lisboa] (DF), Faculdade de Ciências e Tecnologia = School of Science & Technology (FCT NOVA), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Faculdade de Ciências e Tecnologia = School of Science & Technology (FCT NOVA), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA), J. Heyrovský Institute of Physical Chemistry of the ASCR, Czech Academy of Sciences [Prague] (CAS), Institut für Ionenphysik und Angewandte Physik - Institute for Ion Physics and Applied Physics [Innsbruck], Leopold Franzens Universität Innsbruck - University of Innsbruck, Department of Physics and Astronomy [Aarhus], Aarhus University [Aarhus], Department of Particle Physics, Weizmann Institute of Science, Ajo, Bar-Ilan University [Israël], Tianjin University of Science and Technology (TUST), Physique des interactions ioniques et moléculaires (PIIM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Ecole Polytechnique Fédérale de Lausanne (EPFL), University of East Anglia [Norwich] (UEA), van ‘t Hoff Institute for Molecular Sciences, Universiteit van Amsterdam (UvA), DF – Departamento de Física, CeFITec – Centro de Física e Investigação Tecnológica, UAM. Departamento de Química, Molecular Processes Modeling Group, 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), Consiglio Nazionale delle Ricerche [Roma] (CNR), Universidad Autonoma de Madrid (UAM), School of Chemistry, University of East Anglia, Norwich Research Park, Norwich NR4 7TJ, United Kingdom, Van't Hoff Institute for Molecular Sciences, University of Amsterdam [Amsterdam] (UvA), 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)-Aix Marseille Université (AMU), Quantum interactions and structural dynamics, and Theoretical Chemistry

Subjects
ab-initio, Astrochemistry, cold ion spectroscopy, COLD ION SPECTROSCOPY, storage-ring, Clusters in the Gas Phase, Nanotechnology, 02 engineering and technology, Physics, Atomic, Molecular & Chemical, 010402 general chemistry, 01 natural sciences, Gas phase, POLYCYCLIC AROMATIC-HYDROCARBONS, resolved photoelectron-spectroscopy, fragmentation dynamics, Molecule, ddc:530, STORAGE-RING, THERMIONIC EMISSION, AB-INITIO, Physics, polycyclic aromatic-hydrocarbons, Science & Technology, low-energy electrons, LOW-ENERGY ELECTRONS, FRAGMENTATION DYNAMICS, RESOLVED PHOTOELECTRON-SPECTROSCOPY, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Optics, SUPERFLUID-HELIUM DROPLETS, MASS-SPECTROMETRY, Química, mass-spectrometry, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Dynamics of Molecules, superfluid-helium droplets, Physical Sciences, thermionic emission, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology
Abstract

The European physical journal / D 75(5), 152 (2021). doi:10.1140/epjd/s10053-021-00155-y, This roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty order of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity from the smallest (diatomic) molecules to clusters and nanoparticles. Combining some of these techniques opens up new avenues to unravel hitherto unexplored reaction pathways and mechanisms, and to establish their significance in, e.g. radiotherapy and radiation damage on the nanoscale, astrophysics, astrochemistry and atmospheric science., Published by Springer, Heidelberg

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. 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

6. 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

7. Unravelling molecular interactions in uracil clusters by XPS measurements assisted by ab initio and tight-binding simulations

Author

Patrick Rousseau, John D. Bozek, Paola Bolognesi, Mattea Carmen Castrovilli, Aleksandar R. Milosavljević, Lorenzo Avaldi, Suvasthika Indrajith, Chiara Nicolafrancesco, Giuseppe Mattioli, Alicja Domaracka, Christophe Nicolas, Sylvain Maclot, Jacopo Chiarinelli, Istituto di Struttura della Materia (CNR-ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Synchrotron SOLEIL (SSOLEIL), 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), Lund University [Lund], Royal Institute of Technology [Stockholm] (KTH ), Consiglio Nazionale delle Ricerche [Roma] (CNR), 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
0301 basic medicine, Materials science, Chemical physics, Ab initio, lcsh:Medicine, Article, 03 medical and health sciences, Molecular dynamics, 0302 clinical medicine, X-ray photoelectron spectroscopy, Cluster (physics), XPS, Molecule, lcsh:Science, Quantitative Biology::Biomolecules, Multidisciplinary, Weakly bonded systems, Chemical shift, Intermolecular force, lcsh:R, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, 030104 developmental biology, Physical chemistry, Cluster, Intramolecular force, lcsh:Q, 030217 neurology & neurosurgery
Abstract

The C, N and O 1s XPS spectra of uracil clusters in the gas phase have been measured. A new bottom-up approach, which relies on computational simulations starting from the crystallographic structure of uracil, has been adopted to interpret the measured spectra. This approach sheds light on the different molecular interactions (H-bond, π-stacking, dispersion interactions) at work in the cluster and provides a good understanding of the observed XPS chemical shifts with respect to the isolated molecule in terms of intramolecular and intermolecular screening occurring after the core–hole ionization. The proposed bottom-up approach, reasonably expensive in terms of computational resources, has been validated by finite-temperature molecular dynamics simulations of clusters composed of up to fifty molecules.

Published
2020

8. 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

9. 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

10. 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

11. 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

12. 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

13. 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

14. 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

15. 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

16. 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

17. 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

18. Molecular dynamics studies of impulse driven reactions in molecules and molecular clusters

Author

Henning T. Schmidt, Manuel Alcamí, Tao Chen, Alicja Domaracka, Lamri Adoui, Mark H. Stockett, Patrick Rousseau, F. Martín, Henrik Cederquist, Henning Zettergren, R. Delaunay, B A Hubert, Yang Wang, Michael Gatchell, and UAM. Departamento de Química

Subjects
History, Atoms, Chemistry, Atoms in molecules, Química, Impulse (physics), Molecules, Condensed matter physics, Molecular physics, Computer Science Applications, Education, Molecular dynamics, Covalent bond, Cluster (physics), Molecule, Nuclear Experiment, Reaction kinetics
Abstract

We have used molecular dynamics methods to study collisions between atoms and molecules or molecular clusters. We find that these collisions may yield highly reactive molecular fragments and efficient intracluster covalent bond-forming reactions in the cluster. There is a good agreement between our simulations and various experimental results.

Published
2015

19. 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

20. Slow ion interaction with N-methylglycine and N-acetylglycine

Author

Bernd A. Huber, Sergio Diaz Tendero, Jaroslav Kocisek, Dariusz Grzegorz Piekarskh, Alicja Domaracka, Fernando Martín, Lamri Adoui, Patrick Rousseau, Janina Kopyra, R. Delaunay, Manuel Alcamí, and UAM. Departamento de Química

Subjects
chemistry.chemical_classification, History, Ionization, Stereochemistry, Diol, Química, Molecules, Condensed matter physics, Tautomer, Computer Science Applications, Education, Amino acid, Ionization of gases, chemistry.chemical_compound, chemistry, Fragmentation (mass spectrometry), Glycine, Molecule, Peptide bond
Abstract

N-acetyl glycine and N-methyl glycine molecules in the gas phase are ionized by electron exchange with slow O6+ ions at an energy of 48 keV. After ionization, the methyl and acetyl substituted glycines dissociate into fragments analogous to that resulting from ionization and fragmentation of amino acids and peptides, respectively. N-acetylglycine which contains a peptide bond also effectively tautomerizes to the diol form. Such tautomerization is typical for amino acids, however, we show that the tautomerization mechanism of the N-acetylglycine is different.

Published
2015

21. 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

22. 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

23. 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

24. 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

25. Electron collision with B(CD3)3molecules

Author

Alicja Domaracka, Czesław Szmytkowski, Paweł Możejko, and Elżbieta Ptasińska-Denga

Subjects
Physics, Elastic scattering, Cross section (physics), Work (thermodynamics), Planar, Ionization, Electron collision, Molecule, Atomic physics, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, Electron ionization
Abstract

Absolute total cross section (TCS) for electron–trimethylborane-d9 (B(CD3)3, TMB-d9) collisions has been measured at energies ranging from 0.4 to 370 eV using the linear electron-transmission technique. The most visible feature of the TCS energy function is a pronounced broad enhancement peaked between 5 and 10 eV. Some weak structures are also perceptible in the TCS curve. At intermediate energies the experimental results are compared with the cross section obtained as a sum of the integral elastic and ionization cross sections calculated in this work for the B(CH3)3 molecule. Similarities observed in cross sections for planar, boron-containing BX3 (X = F, Cl, CD 3) molecules are also pointed out and discussed. (Some figures in this article are in colour only in the electronic version)

Published
2006

26. Reactivity induced at 25 K by low-energy electron irradiation of condensed NH3–CH3COOD (1 : 1) mixture

Author

M. Bertin, Roger Azria, A. Lafosse, Eugen Illenberger, Damian Pliszka, and Alicja Domaracka

Subjects
Spectrophotometry, Infrared, Stereochemistry, Infrared, Chemistry, Radical, Glycine, Temperature, General Physics and Astronomy, High resolution electron energy loss spectroscopy, Electrons, Spectroscopy, Electron Energy-Loss, Spectrum Analysis, Raman, Photochemistry, symbols.namesake, Energy Transfer, Ammonia, symbols, Electron beam processing, Scattering, Radiation, Molecule, Reactivity (chemistry), Physical and Theoretical Chemistry, Spectroscopy, Raman spectroscopy, Acetic Acid
Abstract

Chemical reactivity is observed following electron irradiation of a binary mixture of ammonia (NH(3)) and acetic acid (CH(3)COOD) at 25 K, without any subsequent thermal activation, as evidenced by vibrational high resolution electron energy loss spectroscopy (HREELS). Analysis of the HREEL spectra and comparison with infrared and Raman data of different molecules are compatible with glycine formation in its zwitterionic form. The onset for electron induced reaction is found to be at about approximately 13 eV. The mechanisms may involve NH radicals interaction with CH(3)COOD molecules. Then glycine formation does not imply any displacement of reactants, so that it involves only NH(3) and CH(3)COOD neighboring molecules.

Published
2006

27. Cross sections for electron scattering from sulfuryl chloride fluoride (SO2ClF) molecules

Author

Alicja Domaracka, Elżbieta Ptasińska-Denga, Paweł Możejko, Stanisław Kwitnewski, and Czesław Szmytkowski

Subjects
Physics, Elastic scattering, Sulfuryl chloride fluoride, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, chemistry.chemical_compound, Cross section (physics), chemistry, Ionization, Atom, Molecule, Atomic physics, Electron scattering, Electron ionization
Abstract

Absolute total cross section (TCS) for electron scattering from sulfuryl chloride fluoride (SO2ClF) molecules was measured in a linear transmission experiment at energies ranging from 0.6 to 370 eV. The experimental TCS energy function has a deep minimum (30 × 10−20 m2) at 3 eV which separates two distinct TCS enhancements. Below 3 eV the TCS curve increases steeply towards lower energies with a small resonant maximum visible near 2.2 eV. Above 3 eV the TCS is dominated by second pronounced enhancement with the maximum (45 × 10−20 m2) peaked near 9.5 eV. The experimental TCS findings are—at intermediate energies—satisfactorily reproduced with our total cross section estimation based on calculations of integral elastic (in independent atom approximation) and ionization (binary-encounter-Bethe approach) cross sections. The TCS measured for SO2ClF is also compared with experimental TCSs for molecules containing sulfur as a central atom and it is found that some features observed for SO2ClF are shared by others of the compared molecules.

Published
2005

28. Electron scattering by sulfur tetrafluoride (SF4) molecules

Author

Alicja Domaracka, Stanisław Kwitnewski, Paweł Możejko, Elżbieta Ptasińska-Denga, and Czesław Szmytkowski

Subjects
Elastic scattering, Physics, Cross section (physics), chemistry.chemical_compound, chemistry, Ionization, Molecule, Sulfur tetrafluoride, Atomic physics, Condensed Matter Physics, Electron scattering, Atomic and Molecular Physics, and Optics, Electron ionization
Abstract

Absolute total cross section (TCS) for electron scattering from sulfur tetrafluoride (SF4) molecules was measured in a linear transmission experiment at energies ranging from low (0.1 eV) to intermediate (370 eV). Below 1.6 eV the TCS function increases steeply towards lower energies and shows small resonant-like maximum near 0.4 eV. Two other distinct enhancements are located at higher energies: a narrow one is peaked at 12 eV, and a very broad hump is centred near 40 eV. Our experimental TCS results are compared with the previous TCS measurements at low impact energies and at intermediate energies—with our total cross section estimations based on calculations of elastic and ionization cross sections. The TCS for SF4 is also compared with SFn (n = 1, 2, 6) total cross sections.

Published
2005

29. Electron collisions with trifluorides: BF3 and PF3 molecules

Author

Michal Piotrowicz, Alicja Domaracka, Czesław Szmytkowski, Elżbieta Ptasińska-Denga, Łukasz Kłosowski, and Grzegorz Kasperski

Subjects
chemistry.chemical_compound, chemistry, Intermediate energy, Transmission method, General Physics and Astronomy, Molecule, Phosphorus trifluoride, Peak value, Electron, Physical and Theoretical Chemistry, Atomic physics, Electron scattering, Boron trifluoride
Abstract

Absolute total cross sections (TCSs) for electron scattering from boron trifluoride (BF(3)) and phosphorus trifluoride (PF(3)) molecules have been measured using a linear transmission method. The electron energy ranges from 0.6 to 370 eV for BF(3) and from 0.5 to 370 eV for PF(3). The TCS energy dependence for BF(3) exhibits two very pronounced enhancements: resonantlike narrow feature located near 3.6 eV with the maximum value of 19.2 x 10(-20) m(2), and intermediate energy very broad enhancement with two humps, one centered around 21 eV (18.8 x 10(-20) m(2) in the maximum) and the other near 45 eV (19.5 x 10(-20) m(2)). For PF(3) the TCS has quite different low-energy dependence: at 0.5 eV it has a high value of 70 x 10(-20) m(2) and decreases steeply towards higher energies. Beyond the minimum near 5.5 eV, the TCS reveals two distinct humps: the resonant one centered near 11 eV with the peak value of 32.9 x 10(-20) m(2) and the second one much broader around 35 eV (27.9 x 10(-20) m(2)). The present TCSs for trifluorides are compared to each other as well as to previous TCS data for selected perfluorides and to results for their perhydrided counterparts. The differences and similarities in the shape and magnitude of TCSs are pointed out.

Published
2004

30. Scattering of electrons from hydride molecules: PH3

Author

Alicja Domaracka, Lukasz Kłosowski, Michal Piotrowicz, Elżbieta Ptasińska-Denga, and Czesław Szmytkowski

Subjects
Physics, chemistry.chemical_compound, Cross section (physics), chemistry, Hydride, Scattering, Molecule, Electron, Atomic physics, Condensed Matter Physics, Electron scattering, Atomic and Molecular Physics, and Optics, Phosphine
Abstract

An absolute total cross section (TCS) for electron scattering from phosphine (PH3) molecules was obtained in a linear transmission experiment at energies ranging from low (0.5 eV) to intermediate (370 eV). The dominant behaviour of the TCS energy function is a very pronounced low-energy enhancement with two distinct resonant-like humps peaked at around 2.4 and 6 eV. Above 10 eV the TCS is a rather featureless, monotonically decreasing function of energy. Our experimental results are compared with the theoretical predictions and intermediate-energy measurements. The similarities and differences of experimental TCS data for isoelectronic hydrides containing third-period atoms (SiH4, PH3, H2S and HCl) are also pointed out and discussed.

Published
2004

31. Total cross section for low-energy electron scattering from formic acid, (HCOOH), molecules

Author

Mateusz Zawadzki, Czesław Szmytkowski, Elżbieta Ptasińska-Denga, Paweł Możejko, and Alicja Domaracka

Subjects
History, Electron spectrometer, Materials science, Formic acid, Resonant scattering, Molecular physics, Computer Science Applications, Education, chemistry.chemical_compound, Cross section (physics), Low energy, chemistry, Transmission (telecommunications), Computer Science::Systems and Control, Molecule, Electron scattering
Abstract

Total cross section (TCS) for low-energy electron scattering from formic acid molecules has been measured using electrostatic electron spectrometer working in linear transmission mode. Two local maxima centered around 1.7 eV and 7.8 eV have been observed and associated with resonant scattering processes.

Published
2017

33. 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

34. 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

35. Formation dynamics of fullerene dimersC118+,C119+, andC120+

Author

Fernando Martín, Yang Wang, Manuel Alcamí, Henning Zettergren, Mark H. Stockett, Henrik Cederquist, Tao Chen, Alicja Domaracka, Lamri Adoui, Patrick Rousseau, Bernd A. Huber, and Michael Gatchell

Subjects
Physics, Microsecond, Molecular dynamics, Crystallography, Fullerene, Atom, Mass spectrum, Charge density, Molecule, Atomic physics, Atomic and Molecular Physics, and Optics, Ion
Abstract

Dumbbell-shaped fullerene dimers C-118(+) and C-119(+) have recently been observed in mass spectra resulting from collisions between clusters of C-60 molecules and keV He2+ or Ar2+ ions [H. Zettergren et al., Phys. Rev. Lett. 110, 185501 (2013) and F. Seitz et al., J. Chem. Phys. 139, 034309 (2013)]. To unveil the formation mechanisms of these fullerene dimers, systematic molecular dynamics (MD) simulations based on the self-consistent charge density functional tight-binding method have been performed for C-n(+) + C-60 (n = 58,59,60) collisions following prompt atom knockouts by the fast ions. The statistics from the MD simulations indicate a much higher reactivity of C-59(+) and C-58(+) fragments compared to that of C-60(+). It is found that the covalently bonded dumbbell-shaped fullerene dimers C-118(+) and C-119(+) can be formed at very low-collision energies within 1 ps and are stable enough to survive on the microsecond time scale of the experiment. The thermodynamic and kinetic stabilities, as well as the bonding features, have been investigated for the most stable dumbbell dimers C-118(+), C-119(+), and C-120(+).

Published
2014

36. Stability of the glycine cation in the gas phase after interaction with multiply charged ions

Author

Violaine Vizcaino, Fernando Martín, Dariusz G. Piekarski, A. Méry, Sergio Díaz-Tendero, Sylvain Maclot, Lamri Adoui, Alicja Domaracka, Manuel Alcamí, Bernd A. Huber, Patrick Rousseau, R. Delaunay, J. Y. Chesnel, 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, and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)

Subjects
chemistry.chemical_classification, Quantitative Biology::Biomolecules, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Atomic and Molecular Physics, and Optics, Ion, Amino acid, Fragmentation (mass spectrometry), Chemical physics, Intramolecular force, Potential energy surface, Glycine, Physics::Atomic and Molecular Clusters, Molecule, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Atomic physics, Physics::Chemical Physics, Nuclear Experiment, Bond cleavage
Abstract

International audience; This study presents a coupled experimental and theoretical work on the stability of singly charged glycine molecules (NH2CH2COOH+, the simplest amino acid) produced in the collision of neutral glycine with low-energy multiply charged ions in the gas phase. The main fragments observed experimentally result from C-alpha-C-carboxyl bond cleavage. Additionally, some fragments are produced after an intramolecular rearrangement of the glycine cation, in particular the loss of a neutral water molecule following a H-migration. Moreover, this work discusses qualitatively the energy transferred to the molecule in the collision with a comparative study of the fragmentation patterns for different projectile ion charge states.

Published
2014

37. Comparison of UV and high-energy ion irradiation of methanol:ammonia ice

Author

Alicja Domaracka, Emmanuel Dartois, A. Jiménez-Escobar, Philippe Boduch, Hermann Rothard, G. M. Muñoz Caro, Centro de Astrobiologia [Madrid] (CAB), Instituto Nacional de Técnica Aeroespacial (INTA)-Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), 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)-Centre National d’Études Spatiales [Paris] (CNES), 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), European Project: 227012,EC:FP7:INFRA,FP7-INFRASTRUCTURES-2008-1,SPIRIT(2009), Université Paris-Sud - Paris 11 (UP11)-Institut national des sciences de l'Univers (INSU - CNRS)-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
Astrochemistry, Physics::Medical Physics, Analytical chemistry, FOS: Physical sciences, methods: laboratory: molecular, Cosmic ray, Astrophysics, 7. Clean energy, ultraviolet: ISM, law.invention, Ion, chemistry.chemical_compound, Ammonia, cosmic rays, law, Molecule, Irradiation, Solar and Stellar Astrophysics (astro-ph.SR), Earth and Planetary Astrophysics (astro-ph.EP), Physics, Gas-discharge lamp, astrochemistry, extinction, Astronomy and Astrophysics, chemistry, Astrophysics - Solar and Stellar Astrophysics, 13. Climate action, Space and Planetary Science, Methanol, dust, Astrophysics::Earth and Planetary Astrophysics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], techniques: spectroscopic, Astrophysics - Earth and Planetary Astrophysics
Abstract

The main goal of this work is to compare the effects induced in ices of astrophysical relevance by high-energy ions, simulating cosmic rays, and by vacuum ultraviolet (UV) photons. This comparison relies on in situ infrared spectroscopy of irradiated CH3OH:NH3 ice. Swift heavy ions were provided by the GANIL accelerator. The source of UV was a microwave-stimulated hydrogen flow discharge lamp. The deposited energy doses were similar for ion beams and UV photons to allow a direct comparison. A variety of organic species was detected during irradiation and later during ice warm-up. These products are common to ion and UV irradiation for doses up to a few tens of eV per molecule. Only the relative abundance of the CO product, after ice irradiation, was clearly higher in the ion irradiation experiments. For some ice mixture compositions, the irradiation products formed depend only weakly on the type of irradiation, swift heavy ions, or UV photons. This simplifies the chemical modeling of energetic ice processing in space., 9 pages, 9 figures, 2 tables, accepted in A&A

Published
2014

38. Sulfur implantation in CO and CO2 ices

Author

Hermann Rothard, Alicja Domaracka, Philippe Boduch, Maria Elisabetta Palumbo, J. J. Ding, Giovanni Strazzulla, T. Langlinay, X. Y. Lv, 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), INAF - Osservatorio Astrofisico di Catania (OACT), Istituto Nazionale di Astrofisica (INAF), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Physics, Carbonic acid, Ion beam, Inorganic chemistry, chemistry.chemical_element, Astronomy and Astrophysics, Chemical reaction, Sulfur, Ion, chemistry.chemical_compound, Ion implantation, chemistry, 13. Climate action, Space and Planetary Science, [SDU]Sciences of the Universe [physics], Carbon dioxide, Molecule, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], ComputingMilieux_MISCELLANEOUS
Abstract

We present new experimental results concerning the implantation of multiply charged sulfur ions (90 and 176 keV) in frozen CO and CO2. CO2 layers have been capped with a water ice layer to study chemical reactions induced at the interface between the two species. The results indicate that SO2 is formed after implantation in both CO and CO2 and the respective formation yields are 0.20 +/- 0.05 and 0.38 +/- 0.20 molecules ion(-1) for 176-keV S11+ in CO and 90-keV S9+ in CO2, respectively. Possibly, CS2 has been produced in CO2 and OCS in CO. Ion implantation produces also all of the chemical modifications observed with other ion beam. In particular a large number of carbon chains are formed after implantation in CO. Chemical reactions and mixing are induced at the water/carbon dioxide interface and lead to the formation of carbonic acid (H2CO3). The results are discussed in the light of their relevance in some astrophysical environments both in the star-forming regions and in the Solar system.

Published
2014

39. Non-statistical fragmentation of PAHs and fullerenes in collisions with atoms

Author

Henrik Cederquist, Alicja Domaracka, Yang Wang, Henning Zettergren, J. Y. Chesnel, Bernd A. Huber, Patrick Rousseau, Fernando Martín, Manuel Alcamí, Kostiantyn Kulyk, Mark H. Stockett, Henning T. Schmidt, A. Méry, Tao Chen, Sylvain Maclot, Michael Gatchell, Kristian Støchkel, Lamri Adoui, Preben Hvelplund, 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), Institute of Physics and Astronomy, Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid, Departamento de Qímica, Insituto Madrilẽno de Estudios Avanzados en Nanociencia, and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)

Subjects
inorganic chemicals, Fullerene, Hydrogen, Knockout, Polycyclic aromatic hydrocarbon, chemistry.chemical_element, 02 engineering and technology, 01 natural sciences, Ion, symbols.namesake, Fragmentation (mass spectrometry), 0103 physical sciences, Physics::Atomic and Molecular Clusters, Molecule, Physics::Atomic Physics, Physical and Theoretical Chemistry, Physics::Chemical Physics, 010306 general physics, Molecular fusion, Instrumentation, Spectroscopy, Non-statistical fragmentation, chemistry.chemical_classification, [PHYS]Physics [physics], [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], PAH, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Ion collisions, chemistry, Chemical physics, Covalent bond, symbols, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Atomic physics, van der Waals force, 0210 nano-technology
Abstract

International audience; Non-statistical fragmentation processes may be important when Polycyclic Aromatic Hydrocarbon molecules (PAHs), fullerenes, or other large complex molecules collide with atoms and atomic ions. For collisions with hydrogen or helium this occurs for center-of-mass energies between a few tens to a few hundreds of electron volts and typically results in losses of single atoms. In such processes one forms much more reactive fragments than in statistical fragmentation, which instead are dominated by losses of C2- or C2H2-molecules (H-atoms) from fullerenes and PAHs, respectively. An enhanced reactivity has recently been demonstrated for van der Waals clusters of C60 molecules where prompt knockouts of single C-atoms from one of the fullerenes yield highly reactive C59+ fragments, which easily form covalent bonds with a C60 molecule inside the clusters.

Published
2014

40. Prompt and delayed fragmentation of bromouracil cations ionized by multiply charged ions

Author

Patrick Rousseau, R. Delaunay, Sylvain Maclot, Alicja Domaracka, Lamri Adoui, Bernd A. Huber, Jean-Philippe Champeaux, P Moretto-Capelle, M. Capron, Bruno Manil, A. Méry, 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 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), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-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), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées

Subjects
Fragmentation (mass spectrometry), Internal energy, Bromouracil, Chemistry, Ionization, Intramolecular force, Molecule, Atomic physics, Molecular physics, Atomic and Molecular Physics, and Optics, ComputingMilieux_MISCELLANEOUS, Dication, Ion
Abstract

The fragmentation of singly and multiply charged 5-bromouracil molecules (C4H3N2O2Br) induced by collisions with slow multiply charged ions has been studied. The emission of neutral fragments as well as charge separating decay channels are identified as a function of the projectile charge state. In the first case, delayed loss of neutral moieties, occurring on a μs time scale, indicates a wider internal energy distribution resulting in a power law decay. In the second case, the most important decay channels, leading to the formation of Br+, HNCO+ and CO+/NHCH+, are discussed showing that in many processes intramolecular H-migration occurs before fragmentation. Furthermore, molecular rearrangement may lead to delayed charge separating processes. Although the dication of bromouracil is unstable, smaller doubly charged systems created by the loss of neutral fragments are found to be (meta) stable.

Published
2014

41. Fragmentation of amino acids induced by collisions with low-energy highly charged ions

Author

Patrick Rousseau, F. Martín, Manuel Alcamí, Sergio Díaz-Tendero, Alicja Domaracka, Sylvain Maclot, Lamri Adoui, Dariusz G. Piekarski, and B A Huber

Subjects
chemistry.chemical_classification, Quantitative Biology::Biomolecules, History, Quantum chemistry, Charged particle, Computer Science Applications, Education, Ion, Amino acid, Low energy, Fragmentation (mass spectrometry), chemistry, Computational chemistry, Molecule, Density functional theory, Nuclear Experiment
Abstract

Fragmentation of amino acids NH2-(CH2)n-COOH (n=1 glycine; n=2 β-alanine and n=3 γ-aminobutyric acid GABA) following collisions with slow highly charged ions has been studied in the gas phase by a combined experimental and theoretical approach. In the experiments, a multi-coincidence detection method was used to deduce the charge state of the molecules before fragmentation. Quantum chemistry calculations have been carried out in the basis of the density functional theory and ab initio molecular dynamics. The combination of both methodologies is essential to unambiguously unravel the different fragmentation pathways.

Published
2014

42. Stability of Multiply-Charged Biomolecular Clusters Formed Upon Interaction with Low-Energy Highly Charged Ions

Author

Alicja Domaracka, Jimmy Rangama, Violaine Vizcaino, J. Y. Chesnel, Patrick Rousseau, Bernd A. Huber, A. Méry, Sylvain Maclot, Jean-Christophe Poully, Lamri Adoui, 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
chemistry.chemical_classification, [PHYS]Physics [physics], Quantitative Biology::Biomolecules, Charge (physics), Condensed Matter Physics, 7. Clean energy, Stability (probability), Nucleobase, Ion, Amino acid, chemistry.chemical_compound, Monomer, chemistry, Chemical physics, Cluster (physics), Molecule, Physical and Theoretical Chemistry, Atomic physics, Instrumentation, Spectroscopy, ComputingMilieux_MISCELLANEOUS
Abstract

We report on the stability and the processes occurring in clusters of nucleobases and amino acids after multi-ionization upon collisions with highly charged ions. The observed appearance sizes, which are compared with different systems, are found to be slightly lower for amino acids than for nucleobases. As shown by quantum chemical calculations, performed for the doubly-charged α-alanine decamer, this may be partly explained by a rearrangement of the molecules within the cluster, which increases the distance between the charges, thus, reducing the Coulomb repulsion. Hot clusters are stabilized by the emission of neutral monomers occurring, as demonstrated for cytosine clusters, with high intensity on the μs time scale, in particular for clusters of high charge states. This is consistent with a higher energy transfer in the multi-ionization process.

Published
2014

43. Thermal and energetic processing of ammonia and carbon dioxide bearing solid mixtures

Author

X. Y. Lv, Maria Elisabetta Palumbo, J. J. Ding, Ph. Boduch, T. Langlinay, Hermann Rothard, Giovanni Strazzulla, 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), INAF - Osservatorio Astrofisico di Catania (OACT), Istituto Nazionale di Astrofisica (INAF), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Inorganic chemistry, General Physics and Astronomy, 7. Clean energy, Chemical reaction, Ion, chemistry.chemical_compound, Ammonia, Chemical species, chemistry, 13. Climate action, [SDU]Sciences of the Universe [physics], Carbon dioxide, Ammonium formate, Ammonium carbamate, Molecule, Physical and Theoretical Chemistry, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], ComputingMilieux_MISCELLANEOUS
Abstract

We present new experimental results on thermal and ion irradiation processing of frozen ammonia-carbon dioxide mixtures. Some mixtures were deposited at low temperatures (T ≈ 16 K). Upon warming up to 160 K, complex chemical reactions occur leading to the formation of new molecules and, in particular, of ammonium carbamate. We also show that the same species are produced when water is the dominant species in the ternary mixture with ammonia and carbon dioxide. The samples have been irradiated with 144 keV S(9+) ions at 16 K and 50 K. Also in this case, new chemical species are formed as e.g. ammonium formate, CO and OCN(-). The results are discussed in the light of their relevance to the chemical evolution of ices in the interstellar medium and in the solar system. In particular, we suggest searching for them among the gas phase species sublimating from grains around young stellar objects and from the cometary nuclei approaching the Sun.

Published
2014

44. Bond formation in C+59-C60 collisions

Author

Jean-Yves Chesnel, Alexander G. G. M. Tielens, Michael Gatchell, Yang Wang, Bernd A. Huber, Jimmy Rangama, Violaine Vizcaino, Mark H. Stockett, Manuel Alcamí, F. Seitz, J. C. Poully, F. Martín, John D. Alexander, S. Maclot, Henrik Cederquist, Patrick Rousseau, A. Méry, Henning Zettergren, M. Capron, Tao Chen, Henning T. Schmidt, Alicja Domaracka, Lamri Adoui, Department of Physics [Stockholm], Stockholm University, 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 de Chimie de Clermont-Ferrand (ICCF), SIGMA Clermont (SIGMA Clermont)-Institut de Chimie du CNRS (INC)-Université Clermont Auvergne [2017-2020] (UCA [2017-2020])-Centre National de la Recherche Scientifique (CNRS), Departemento de Quimica, Universidad Autonoma de Madrid (UAM), Universiteit Leiden [Leiden], CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), 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), Universidad Autónoma de Madrid (UAM), and Universiteit Leiden

Subjects
History, Fusion, Fullerene, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], chemistry.chemical_element, 02 engineering and technology, Bond formation, 021001 nanoscience & nanotechnology, 01 natural sciences, Computer Science Applications, Education, Ion, Chemical physics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Cluster (physics), Molecule, Dumbbell, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Atomic physics, 010306 general physics, 0210 nano-technology, Carbon
Abstract

International audience; In this work, we show that keV-ions are able to remove single carbon atoms from individual fullerenes in clusters of C60 molecules. This very efficiently leads to the formation of exotic C+119 dumbbell molecules through secondary C+59 + C60 collisions within the fragmenting cluster. Such molecular fusion processes are inherently different from those induced by photons where only products with even numbers of carbon atoms are observed. Thus, ion collisions ignite unique and hitherto overlooked secondary reactions in small aggregates of matter. This relates to the question on how complex molecules may form in e.g. space.

Published
2014

45. Dynamics of Glycine Dications in the Gas Phase: Ultrafast Intramolecular Hydrogen Migration versus Coulomb Repulsion

Author

Sergio Díaz-Tendero, Sylvain Maclot, Dariusz G. Piekarski, Manuel Alcamí, A. Méry, Bernd A. Huber, Lamri Adoui, Violaine Vizcaino, Fernando Martín, Patrick Rousseau, 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), Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid, Departamento de Qímica, 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
Hydrogen, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Molecular dynamics, Ionization, Physics::Atomic and Molecular Clusters, Molecule, General Materials Science, Physical and Theoretical Chemistry, Physics::Chemical Physics, Biomolecules, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Fragmentation dynamics, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Complex dynamics, Collision d'ions lourds, Chemical physics, Intramolecular force, Excited state, Density functional theory, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Atomic physics, 0210 nano-technology
Abstract

International audience; We present a combined experimental and theoretical study of the complex dynamics of excited doubly ionized glycine molecules in the gas phase. Multicoincidence mass spectroscopic techniques together with ab initio molecular dynamics simulations and density functional theory calculations allow us to show that an ultrafast intramolecular hydrogen migration (∼30 fs) appears in competiton with the expected Coulomb repulsion.

Published
2013

46. Ions colliding with polycyclic aromatic hydrocarbon clusters

Author

A. Méry, Henrik Cederquist, M. Capron, A. Ławicki, Lamri Adoui, Jimmy Rangama, Bernd A. Huber, John D. Alexander, Bruno Manil, Mark H. Stockett, J. Y. Chesnel, Michael Gatchell, Henning Zettergren, Sylvain Maclot, Tao Chen, Henning T. Schmidt, Patrick Rousseau, R. Maisonny, Alicja Domaracka, F. Seitz, 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), Laboratoire de Physique des Lasers (LPL), Université Paris 13 (UP13)-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), 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
chemistry.chemical_classification, [PHYS]Physics [physics], Chemistry, Polycyclic aromatic hydrocarbon, Condensed Matter Physics, 01 natural sciences, Molecular physics, Atomic and Molecular Physics, and Optics, Ion, chemistry.chemical_compound, Monomer, Fragmentation (mass spectrometry), Ionization, Intramolecular force, 0103 physical sciences, Coulomb, Molecule, Physics::Chemical Physics, Atomic physics, 010306 general physics, 010303 astronomy & astrophysics, Astrophysics::Galaxy Astrophysics, Mathematical Physics, ComputingMilieux_MISCELLANEOUS
Abstract

We have measured the ionization and fragmentation of polycyclic aromatic hydrocarbon (PAH) molecules and their clusters. We find that PAH clusters containing up to roughly 100 individual molecules fragment strongly following collisions with keV ions in low or high charge states (q). For both types of collisions, singly charged PAH molecules are found to be the dominant products but for very different reasons. A high-q ion projectile charge leads to strong multiple ionization of the PAH clusters and subsequent Coulomb explosions. A low-q ion projectile charge often leads to single ionization but stronger internal heating and long evaporation sequences with a singly charged PAH monomer as the end product. We have developed a Monte Carlo method for collision-induced heating of PAH clusters and present an evaporation model where the clusters cool slowly as most of the internal energies are stored in intramolecular vibrations and not in molecule-molecule vibrations.

Published
2013

47. Chemical reactions induced in frozen formic acid by heavy ion cosmic rays

Author

Enio F. da Silveira, Philippe Boduch, Diana P. P. Andrade, Alicja Domaracka, Ana L. F. de Barros, Sergio Pilling, Hermann Rothard, Centro Federal de Educação Tecnológica Celso Suckow da Fonseca (Rio de Janeiro) ( CEFET/RJ), 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), Pontifical Catholic University of Rio de Janeiro (PUC), 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
Physics, Formic acid, Analytical chemistry, Astronomy and Astrophysics, 010402 general chemistry, Mass spectrometry, 7. Clean energy, 01 natural sciences, Chemical reaction, 0104 chemical sciences, Ion, chemistry.chemical_compound, Chemical species, chemistry, 13. Climate action, Space and Planetary Science, Yield (chemistry), 0103 physical sciences, Radiolysis, Molecule, Atomic physics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS
Abstract

We studied the effects produced by the interaction of heavy ion cosmic rays with interstellar and cometary organic molecules in the solid phase. Formic acid (HCOOH) ice at 15 K was irradiated by 267-MeV 56Fe22+ ions and the chemical evolution was analysed using Fourier transform infrared spectroscopy. The destruction cross-section of HCOOH and the formation cross-sections of the produced molecular species have been determined; the sputtering yield values are also discussed. The most abundant chemical species formed by Fe ion irradiation are CO, CO2 and H2O. The half-life of frozen formic acid molecules in the interstellar medium, as a result of interaction with the different cosmic ray constituents, is evaluated to be 108 yr, considering that the destruction cross-section σ d of heavy ions is ruled by a power law as a function of the electronic stopping power Se (i.e. σd ∼ S3/2 e ). Moreover, a complementary study based on mass spectrometry data from the literature has been performed, in order to understand the HCOOH molecule radiolysis, the desorption of its product and the chemical reaction pathways in ice.

Published
2013

48. Ions colliding with clusters of fullerenes - Decay pathways and covalent bond formations

Author

Henrik Cederquist, Henning T. Schmidt, Yang Wang, Bernd A. Huber, Manuel Alcamí, Jimmy Rangama, J. Y. Chesnel, Violaine Vizcaino, Fernando Martín, A. Méry, John Alexander, Mark H. Stockett, Alicja Domaracka, Patrick Rousseau, Lamri Adoui, Michael Gatchell, Henning Zettergren, Sylvain Maclot, F. Seitz, Tao Chen, Alexander G. G. M. Tielens, M. Capron, J. C. Poully, UAM. Departamento de Química, 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), Institute of Applied Physics [Vienna] (TU Wien), Vienna University of Technology (TU Wien), Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China (IMP), SRON Netherlands Institute for Space Research (SRON), 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
COLLISIONS, BUCKMINSTERFULLERENE, General Physics and Astronomy, 02 engineering and technology, 7. Clean energy, 01 natural sciences, Ion, CROSS-SECTIONS, HIGHLY-CHARGED IONS, ATOMS, symbols.namesake, Fragmentation (mass spectrometry), Ionization, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Cluster (physics), Molecule, Physical and Theoretical Chemistry, 010306 general physics, ComputingMilieux_MISCELLANEOUS, [PHYS]Physics [physics], Chemistry, Química, 021001 nanoscience & nanotechnology, Chemical bond, 13. Climate action, GAS, Excited state, symbols, GROWTH, van der Waals force, Atomic physics, 0210 nano-technology, C-60
Abstract

The following article appeared in Journal of Chemical Physics 139.3 (2013): 034309 and may be found at http://scitation.aip.org/content/aip/journal/jcp/139/3/10.1063/1.4812790, We report experimental results for the ionization and fragmentation of weakly bound van der Waals clusters of n C60 molecules following collisions with Ar2+, He2+, and Xe20+ at laboratory kinetic energies of 13 keV, 22.5 keV, and 300 keV, respectively. Intact singly charged C60 monomers are the dominant reaction products in all three cases and this is accounted for by means of Monte Carlo calculations of energy transfer processes and a simple Arrhenius-type [C60]n+ → C60++(n-1) C60 evaporation model. Excitation energies in the range of only ∼0.7 eV per C60 molecule in a [C60]13 + cluster are sufficient for complete evaporation and such low energies correspond to ion trajectories far outside the clusters. Still we observe singly and even doubly charged intact cluster ions which stem from even more distant collisions. For penetrating collisions the clusters become multiply charged and some of the individual molecules may be promptly fragmented in direct knock-out processes leading to efficient formations of new covalent systems. For Ar2 + and He2 + collisions, we observe very efficient C119+ and C118+ formation and molecular dynamics simulations suggest that they are covalent dumb-bell systems due to bonding between C59+ or C58+ and C60 during cluster fragmentation. In the Ar 2+ case, it is possible to form even smaller C120-2m+ molecules (m = 2-7), while no molecular fusion reactions are observed for the present Xe20+ collisions, This work was supported by the Swedish Research Council (Contract Nos. 621-2008-3773, 621-2009-3468, and 621- 2011-4047). The authors thank Fabien Noury and Stephane Guillous for supplying the ion beam. We acknowledge the COST action CM1204 “XUV/X-ray light and fast ions for ultrafast chemistry (XLIC)” and computer time from CCCUAM and BSC Mare Nostrum. Work partially supported by Project Nos. FIS2010-15127, CTQ2010-17006, CSD2007- 00010 (MICINN), S2009/MAT1726 (CAM), and the CNRS PICS-05356. Studies of interstellar chemistry at Leiden Observatory are supported through advanced-ERC grant (Grant No. 246976) from the European Research Council, through a grant by the Dutch Science Agency, NWO, as part of the Dutch Astrochemistry Network, and through the Spinoza premie from the Dutch Science Agency, NWO

Published
2013

49. Fragmentation Dynamics Of Complex Molecules And Their Clusters

Author

A. Méry, H. A. B. Johansson, Jean-Christophe Poully, Henrik Cederquist, Alicja Domaracka, Lamri Adoui, Anne I. S. Holm, A Lawicki, Jimmy Rangama, Bernd A. Huber, F. Seitz, Patrick Rousseau, Stefan Rosén, J. Y. Chesnel, Henning Zettergren, H. T. Schmidt, S. Maclot, R. Maisonny, M. Capron, 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), 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
Biomolecules, Chemistry, Polycyclic Aromatic Hydrocarbons PAHs, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Highly charged ion, Complex system, Complex Molecules, Water, 020206 networking & telecommunications, 02 engineering and technology, Ion, Clusters, Fragmentation (mass spectrometry), Chemical physics, Metastability, Excited state, Ionization, 0202 electrical engineering, electronic engineering, information engineering, Molecule, 020201 artificial intelligence & image processing, Collisions, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Atomic physics
Abstract

International audience; Complex molecular systems such as large molecules or clusters are characterised by a large number of degrees of freedom. Energies well in excess of individual thresholds for fragmentation can be stored for long times and metastable excited states become important. We will concentrate in this paper on the study of the response of such nanoscale systems, i.e. we will study excitation and fragmentation mechanisms induced by highly charged ion radiation, reflecting dynamic energy and charge flow processes. We will illustrate these relaxation processes for different molecular systems from Polycyclic Aromatic Hydrocarbons, water or biomolecule targets and their clusters in collision with multiply charged ions. We will emphasize that slow multiply charged ions provide an efficient way to study the stability of complex systems. Indeed, such ions are known to remove several electrons at large impact parameters resulting in a fast and gentle ionization.

Published
2012

50. Chemistry induced by energetic ions in water ice mixed with molecular nitrogen and oxygen

Author

Giovanni Strazzulla, Ph. Boduch, Daniele Fulvio, Maria Elisabetta Palumbo, Hermann Rothard, Thomas Langlinay, X. Y. Lv, 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), 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
Astrochemistry, 010504 meteorology & atmospheric sciences, Extinction (astronomy), Analytical chemistry, chemistry.chemical_element, Astronomy and Astrophysics, Context (language use), Astrophysics, 01 natural sciences, Nitrogen, Homonuclear molecule, Ion, Interstellar medium, chemistry, 13. Climate action, Space and Planetary Science, 0103 physical sciences, Molecule, Atomic physics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences
Abstract

Context. Several molecular species have been observed as frozen gases in cold environments such as grains in the interstellar/circumstellar medium or icy objects in the outer solar system. Because N2 and O2 are homonuclear, symmetric molecules are not easily observed. It is therefore relevant to find indirect methods to prove their presence from astronomical observations. Aims. Here we investigate one of the possible indirect methods, namely the formation of specific molecules by cosmic ion bombardment of ices in astrophysical environments that contain O2 and N2. The observation of these molecules in astronomical environments could act as a trojan horse to detect the presence of frozen molecular oxygen and/or nitrogen. Methods. We have conducted ion bombardment experiments of frozen O2 ,H 2O and their mixtures with N2 at the laboratories of CIMAP-GANIL at Caen (France) and LASp at Catania (Italy). Different ions ( 13 C 2+ ,A r 2+ and H + ) and energies (30–200 keV) have been used. Results. We have found that 13 CO2 is formed when carbon ions are implanted in ices containing H2 Oa nd/or O2. Ozone and nitrogen oxides (NO, N2O, NO2) are formed in the studied ices containing O2 and N2 with different relative abundances. Conclusions. We suggest that ozone and nitrogen oxides are present and have to be searched for in some specific environments such as dense clouds in the interstellar medium and the surfaces of Pluto, Charon and Triton. Their observation could demonstrate the presence of molecular oxygen and/or nitrogen. A possible interest for the observations of atmospheres in exo-planetary objects is also discussed.

Published
2012

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