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138 results on '"Patrick Rousseau"'

1. Resonant Inner-Shell Photofragmentation of Adamantane (C10H16)

Author: Smita Ganguly, Mathieu Gisselbrecht, Per Eng-Johnsson, Raimund Feifel, Sergio Díaz-Tendero, Eva Muchová, Aleksandar R. Milosavljević, Patrick Rousseau, and Sylvain Maclot
Subjects: adamantane, inner-shell fragmentation, site-selectivity, AE–PICO/PIPICO coincidence, Organic chemistry, QD241-441
Abstract: Adamantane, the smallest diamondoid molecule with a symmetrical cage, contains two distinct carbon sites, CH and CH2. The ionization/excitation of the molecule leads to the cage opening and strong structural reorganization. While theoretical predictions suggest that the carbon site CH primarily causes the cage opening, the role of the other CH2 site remains unclear. In this study, we used advanced experimental Auger electron–ion coincidence techniques and theoretical calculations to investigate the fragmentation dynamics of adamantane after resonant inner-shell photoexcitation. Our results demonstrate that some fragmentation channels exhibit site-sensitivity of the initial core–hole location, indicating that different carbon site excitations could lead to unique cage opening mechanisms.
Published: 2023
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2. Polypeptide formation in clusters of β-alanine amino acids by single ion impact

Author: Patrick Rousseau, Dariusz G. Piekarski, Michael Capron, Alicja Domaracka, Lamri Adoui, Fernando Martín, Manuel Alcamí, Sergio Díaz-Tendero, and Bernd A. Huber
Subjects: Science
Abstract: 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
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3. Performance of a keV/u Ion Spectrometer for the FISIC Platform

Author: Mariette Jolly, Spyridon Voikopoulos, Emily Lamour, Alain Méry, Angela Bräuning-Demian, Jean-Yves Chesnel, Alexandre Gumberidze, Michael Lestinsky, Stéphane Macé, Christophe Prigent, Jean-Marc Ramillon, Jimmy Rangama, Patrick Rousseau, Daniel Schury, Uwe Spillmann, Sébastien Steydli, Thomas Stöhlker, Martino Trassinelli, and Dominique Vernhet
Subjects: ion spectrometer, ion-atom collisions, MCP detectors, electron capture, Nuclear and particle physics. Atomic energy. Radioactivity, QC770-798
Abstract: The design and performances of a newly built electrostatic charge state analyzer constructed to act as a spectrometer for keV/u ions are reported. It consists of two 90∘ curved electrodes enclosed by Matsuda electrodes. This setup was recently tested using Ar9+ and Ar12+ ion beams at an energy of 10 keV per charge unit. This spectrometer achieves a good separation of different charge states formed by electron capture processes during collisions between primary ions and the residual gas. Thanks to these first tests, we have identified up to three different background contributions on the detector that need to be reduced or suppressed.
Published: 2022
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4. La vulnérabilité au prisme d’une situation d’entretien en protection de l’enfance

Author: Maryse Bournel-Bosson, Michel Boutanquoi, Michèle Grossen, Patrick Rousseau, and Frédérique Sitri
Subjects: child welfare, vulnerability, autonomy/dependence, interactions, positioning, Social Sciences, Social pathology. Social and public welfare. Criminology, HV1-9960
Abstract: The issue of vulnerability in child welfare is highly related to intervention practices and analysis is possible both on the level of written documents that mark out the measures and on the level of the multiple situations of interaction that take place between families and social workers. The approach developed here on this topic focuses on an interview between a social worker and a mother (Mrs. Yvon) whose child has been placed under a protection measure. The purpose of this interview is to render the content of the report written by the educator for the juvenile judge to Mrs. Yvon and also to discuss the child’s non-attendance at school. The structurally asymmetrical positioning between speakers is studied, and more specifically the way it is organized around the two poles that characterize vulnerability, namely the wish for autonomy and the reality of dependence linked to some forms of fragility. The first part of the results concerns the analysis of the content of the report and reflects this tension by highlighting the use of many contrasting statements. The second part focuses on the interactive dynamics and highlights strong variations in the positioning between the professional’s help, control, advice and the mother’s acceptance, refusal, argumentation. The two interlocutors are concerned with maintaining the dialogue even though transparency, which is an inherent condition to it, is temporarily called into question. This episode reminds Mrs. Yvon. That she must be "irreproachable" as a mother. On a conceptual level, it also indicates that vulnerability remains strongly linked to the notions of personalization and empowerment.

5. Peptide Bond Formation in the Protonated Serine Dimer Following Vacuum UV Photon‐Induced Excitation

Author: Ori Licht, Darío Barreiro‐Lage, Patrick Rousseau, Alexandre Giuliani, Aleksandar R. Milosavljević, Avinoam Isaak, Yitzhak Mastai, Amnon Albeck, Raj Singh, Vy T. T. Nguyen, Laurent Nahon, Lara Martínez‐Fernández, Sergio Díaz‐Tendero, and Yoni Toker
Subjects: General Chemistry, General Medicine, Catalysis
Published: 2023

6. Controlling the diversity of ion-induced fragmentation pathways by N-methylation of amino acids

Author: Darío Barreiro-Lage, Chiara Nicolafrancesco, Jaroslav Kočišek, Alberto Luna, Janina Kopyra, Manuel Alcamí, Bernd A. Huber, Fernando Martín, Alicja Domaracka, Patrick Rousseau, Sergio Díaz-Tendero, Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Atomes, Molécules et Agrégats (AMA), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), J. Heyrovský Institute of Physical Chemistry of the ASCR, Czech Academy of Sciences [Prague] (CAS), Centro de Computación Científica (CCC-UAM), Universidad Autónoma de Madrid (UAM), Siedlce University of Natural Sciences and Humanities, Departamento de Química, Modulo 13, Universidad Autónoma de Madrid, Instituto IMDEA Nanociencia [Madrid], Instituto Imdea Nanociencia, Institute for Advanced Research in Chemical Science (IAdChem) (IAdChem), and Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC)
Subjects: [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], General Physics and Astronomy, Physical and Theoretical Chemistry
Abstract: International audience; We present a combined experimental and theoretical study of the fragmentation of singly and doubly N-methylated glycine (sarcosine and N,N-dimethyl glycine, respectively) induced by low-energy (keV) O6+ ions. Multicoincidence mass spectrometry techniques and quantum chemistry simulations (ab initio molecular dynamics and density functional theory) allow us to characterise different fragmentation pathways as well as the associated mechanisms. We focus on the fragmentation of doubly ionised species, for which coincidence measurements provide unambiguous information on the origin of the various charged fragments. We have found that single N-methylation leads to a larger variety of fragmentation channels than in no methylation of glycine, while double N-methylation effectively closes many of these fragmentation channels, including some of those appearing in pristine glycine. Importantly, the closure of fragmentation channels in the latter case does not imply a protective effect by the methyl group.
Published: 2022

7. A study of the valence photoelectron spectrum of uracil and mixed water-uracil clusters

Author: Giuseppe Mattioli, Lorenzo Avaldi, Paola Bolognesi, Annarita Casavola, Filippo Morini, Thomas Van Caekenberghe, John D. Bozek, Mattea C. Castrovilli, Jacopo Chiarinelli, Alicja Domaracka, Suvasthika Indrajith, Sylvain Maclot, Aleksandar R. Milosavljević, Chiara Nicolafrancesco, Christophe Nicolas, Patrick Rousseau, Morini, Filippo/0000-0001-9293-5791, Mattioli, Giuseppe, Avaldi, Lorenzo, Bolognesi, Paola, Casavola, Annarita, MORINI, Filippo, Van Caekenberghe, Thomas, Bozek, John D., Castrovilli, Mattea C., Chiarinelli, Jacopo, Domaracka, Alicja, Indrajith, Suvasthika, Maclot, Sylvain, Milosavljevic, Aleksandar R., Nicolafrancesco, Chiara, Nicolas, Christophe, Rousseau, Patrick, Istituto di Struttura della Materia (CNR-ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Hasselt University (UHasselt), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Atomes, Molécules et Agrégats (AMA), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Matériaux, Défauts et IRradiations (MADIR), Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)
Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, General Physics and Astronomy, Physical and Theoretical Chemistry
Abstract: The valence ionization of uracil and mixed water-uracil clusters has been studied experimentally and by ab initio calculations. In both measurements, the spectrum onset shows a red shift with respect to the uracil molecule, with the mixed cluster characterized by peculiar features unexplained by the sum of independent contributions of the water or uracil aggregation. To interpret and assign all the contributions, we performed a series of multi-level calculations, starting from an exploration of several cluster structures using automated conformer-search algorithms based on a tight-binding approach. Ionization energies have been assessed on smaller clusters via a comparison between accurate wavefunction-based approaches and cost-effective DFT-based simulations, the latter of which were applied to clusters up to 12 uracil and 36 water molecules. The results confirm that (i) the bottom-up approach based on a multilevel method [Mattioli et al. Phys. Chem. Chem. Phys. 23, 1859 (2021)] to the structure of neutral clusters of unknown experimental composition converges to precise structure-property relationships and (ii) the coexistence of pure and mixed clusters in the water-uracil samples. A natural bond orbital (NBO) analysis performed on a subset of clusters highlighted the special role of H-bonds in the formation of the aggregates. The NBO analysis yields second-order perturbative energy between the H-bond donor and acceptor orbitals correlated with the calculated ionization energies. This sheds light on the role of the oxygen lone-pairs of the uracil CO group in the formation of strong H-bonds, with a stronger directionality in mixed clusters, giving a quantitative explanation for the formation of core-shell structures. This article is based upon work from COST Action CA18212—Molecular Dynamics in the GAS phase (MD-GAS) supported by COST (European Cooperation in Science and Technology), and it was partially supported by the CNRS PICS Project BIFACE, the International Associated Laboratory “DYNAMO,” and the PRIN 20173B72NB “Predicting and controlling the fate of bio-molecules driven by extreme-ultraviolet radiation”. C.N. is co-funded by Région Normandie and Synchrotron SOLEIL. SOLEIL support is acknowledged under Project No. 20171346. A.C. acknowledges the access to the CINECA supercomputer facility via the ISCRA C HP10C652JX Grant. F.M. and T.V.C. acknowledge the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government.
Published: 2023

8. Coincidence study of core-ionized adamantane: site-sensitivity within a carbon cage?

Author: Smita Ganguly, Mathieu Gisselbrecht, Per Eng-Johnsson, Raimund Feifel, Paul-Antoine Hervieux, Zeinab Alfaytarouni, Reinhold F. Fink, Sergio Díaz-Tendero, Aleksandar R. Milosavljević, Patrick Rousseau, Sylvain Maclot, Lund University [Lund], University of Gothenburg (GU), Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Matériaux et Nanosciences Grand-Est (MNGE), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), Institut Pluridisciplinaire Hubert Curien (IPHC), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Eberhard Karls Universität Tübingen = Eberhard Karls University of Tuebingen, Condensed Matter Physics Center (IFIMAC), Institute for Advanced Research in Chemical Science (IAdChem) (IAdChem), Baylor College of Medicine, Houston, TX, USA, 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), 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), Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and European Project: 730872,CALIPSOplus
Subjects: [PHYS]Physics [physics], [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], General Physics and Astronomy, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, [PHYS.PHYS.PHYS-SPACE-PH]Physics [physics]/Physics [physics]/Space Physics [physics.space-ph]
Abstract: International audience; We investigate the fragmentation dynamics of adamantane dications produced after core-ionization at the carbon edge followed by Auger decay. The combination of high-resolution electron spectroscopy, energy-resolved electron-ion multi-coincidence spectroscopy and different theoretical models allows us to give a complete characterization of the processes involved after ionization. We show that energy-and site-sensitivity is observed even for a highly-symmetric molecule that lacks any unique atomic site.
Published: 2022

9. Controlling the diversity of ion-induced fragmentation pathways by

Author: Darío, Barreiro-Lage, Chiara, Nicolafrancesco, Jaroslav, Kočišek, Alberto, Luna, Janina, Kopyra, Manuel, Alcamí, Bernd A, Huber, Fernando, Martín, Alicja, Domaracka, Patrick, Rousseau, and Sergio, Díaz-Tendero
Subjects: Ions, Glycine, Sarcosine, Molecular Dynamics Simulation, Methylation, Density Functional Theory
Abstract: We present a combined experimental and theoretical study of the fragmentation of singly and doubly
Published: 2021

10. Water-biomolecule clusters studied by photoemission spectroscopy and multilevel atomistic simulations: hydration or solvation?

Author: Giuseppe, Mattioli, Lorenzo, Avaldi, Paola, Bolognesi, John D, Bozek, Mattea C, Castrovilli, Jacopo, Chiarinelli, Alicja, Domaracka, Suvasthika, Indrajith, Sylvain, Maclot, Aleksandar R, Milosavljević, Chiara, Nicolafrancesco, and Patrick, Rousseau
Subjects: Models, Molecular, Spectrometry, Fluorescence, Photoelectron Spectroscopy, Solvents, Thermodynamics, Water, Hydrogen Bonding, Uracil, Hydrophobic and Hydrophilic Interactions, Density Functional Theory, Nanostructures
Abstract: The properties of mixed water-uracil nanoaggregates have been probed by core electron-photoemission measurements to investigate supramolecular assembly in the gas phase driven by weak interactions. The interpretation of the measurements has been assisted by multilevel atomistic simulations, based on semi-empirical tight-binding and DFT-based methods. Our protocol established a positive-feedback loop between experimental and computational techniques, which has enabled a sound and detailed atomistic description of such complex heterogeneous molecular aggregates. Among biomolecules, uracil offers interesting and generalized skeletal features; its structure encompasses an alternation of hydrophilic H-bond donor and acceptor sites and hydrophobic moieties, typical in biomolecular systems, that induces a supramolecular core-shell-like organization of the mixed clusters with a water core and an uracil shell. This structure is far from typical models of both solid-state hydration, with water molecules in defined positions, or liquid solvation, where disconnected uracil molecules are completely surrounded by water.
Published: 2021

11. Pratique des écrits et écriture des pratiques: La part 'indicible' du métier d'éducateur

Author: Patrick ROUSSEAU
Published: 2007

12. Data science, artificial intelligence, and machine learning: Opportunities for laboratory medicine and the value of positive regulation

Author: Patrick Rousseau, David Gruson, Thibault Helleputte, Damien Gruson, UCL - SSS/IREC/EDIN - Pôle d'endocrinologie, diabète et nutrition, and UCL - (SLuc) Service de biochimie médicale
Subjects: Big Data, Value (ethics), Artificial intelligence, 030213 general clinical medicine, Engineering, Clinical Biochemistry, Big data, Medical laboratory, 030204 cardiovascular system & hematology, Domain (software engineering), Machine Learning, 03 medical and health sciences, 0302 clinical medicine, Artificial Intelligence, Health care, Medical Laboratory Science, Humans, Ethics, business.industry, Deep learning, Data Science, Biomarker, General Medicine, Data science, Health, business
Abstract: Artificial intelligence (AI) and data science are rapidly developing in healthcare, as is their translation into laboratory medicine. Our review article presents an overview of the data science domain while discussing the reasons for its emergence. We also present several perspectives of its applications in clinical laboratories, along with potential ethical challenges related to AI and data science.
Published: 2019

13. A cluster source for photoelectron spectroscopy in VUV and X-ray ranges

Author: E. Robert, J. F. Gil, Christophe Nicolas, Laurent Nahon, John D. Bozek, Aleksandar R. Milosavljević, Chiara Nicolafrancesco, Suvasthika Indrajith, Patrick Rousseau, J.M. Ramillon, Sebastian Hartweg, 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), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Atomes, Molécules et Agrégats (AMA), and 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)
Subjects: [PHYS]Physics [physics], Materials science, Valence (chemistry), X-ray, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Mass spectrometry, 01 natural sciences, Atomic and Molecular Physics, and Optics, Synchrotron, Spectral line, 0104 chemical sciences, law.invention, X-ray photoelectron spectroscopy, law, Physics::Atomic and Molecular Clusters, Cluster (physics), Physics::Accelerator Physics, Atomic physics, 0210 nano-technology, Molecular beam
Abstract: A detailed description of a custom-made gas aggregation cluster source is given as well as of its coupling to permanent molecular beam end-stations of the beamlines DESIRS and PLEIADES at the French national facility synchrotron SOLEIL. Using (hydrated) hypoxanthine clusters as a case study, the production of clusters with different source parameters is discussed based on Vacuum Ultra-Violet (VUV) mass spectrometry. The ability of the cluster source to perform photoelectron spectroscopy is illustrated by photoelectron spectra obtained for valence and core shells.
Published: 2021

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

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

15. 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

16. 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

17. 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

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

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

19. Vibrationally Mediated Stabilization of Electrons in Nonpolar Matter

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

20. 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

21. Dissociation dynamics of the diamondoid adamantane upon photoionization by XUV femtosecond pulses

Author: Jan Lahl, Sergio Díaz-Tendero, Néstor F. Aguirre, Fabian Brunner, Patrick Rousseau, Hélène Coudert-Alteirac, Piotr Rudawski, Sylvain Maclot, Bernd A. Huber, Suvasthika Indrajith, Hampus Wikmark, Per Johnsson, Jasper Peschel, UAM. Departamento de Física de la Materia Condensada, UAM. Departamento de Química, Lund University [Lund], 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), 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), and Normandie Université (NU)
Subjects: Materials science, Adamantane, FOS: Physical sciences, lcsh:Medicine, Photoionization, Coulomb repulsion-driven fragmentation, Diamondoid, 01 natural sciences, Dissociation (chemistry), Article, chemistry.chemical_compound, Fragmentation (mass spectrometry), Physics - Chemical Physics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Physics::Chemical Physics, 010306 general physics, lcsh:Science, [PHYS]Physics [physics], Chemical Physics (physics.chem-ph), Ultraviolet femtosecond pulses, [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], Multidisciplinary, 010304 chemical physics, Attosecond science, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Photodissociation, lcsh:R, Física, Atomic and molecular interactions with photons, Química, [PHYS.PHYS.PHYS-SPACE-PH]Physics [physics]/Physics [physics]/Space Physics [physics.space-ph], 3. Good health, Dication, chemistry, Chemical physics, Diamondoid adamantane, Femtosecond, lcsh:Q, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Abstract: This work presents a photodissociation study of the diamondoid adamantane using extreme ultraviolet femtosecond pulses. The fragmentation dynamics of the dication is unraveled by the use of advanced ion and electron spectroscopy giving access to the dissociation channels as well as their energetics. To get insight into the fragmentation dynamics, we use a theoretical approach combining potential energy surface determination, statistical fragmentation methods and molecular dynamics simulations. We demonstrate that the dissociation dynamics of adamantane dications takes place in a two-step process: barrierless cage opening followed by Coulomb repulsion-driven fragmentation, This research was supported by the Swedish Research Council, the Swedish Foundation for Strategic Research and the Crafoord Foundation. This project has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie Grant Agreement No. 641789 MEDEA and under grant agreement no 654148 Laserlab-Europe. The research was conducted in the framework of the International Associated Laboratory (LIA) Fragmentation DYNAmics of complex MOlecular systems - DYNAMO, funded by the Centre National de la Recherche Scientifique (CNRS). The authors acknowledge the generous allocation of computer time at the Centro de Computación Científica at the Universidad Autónoma de Madrid (CCC-UAM). This work was partially supported by the project CTQ2016-76061-P of the Spanish Ministerio de Economía y Competitividad (MINECO). Financial support from the MINECO through the "María de Maeztu” Program for Units of Excellence in R&D (MDM-2014-0377) is also acknowledged
Published: 2020

22. 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

23. The low energy beamline of the FISIC experiment: current status of construction and performance

Author: A. Bräuning-Demian, U. Spillmann, C. Prigent, J.M. Ramillon, Patrick Rousseau, D. Schury, A. Méry, S. Steydli, Anna Lévy, Th. Stöhlker, Martino Trassinelli, A. Gumberidze, C Hahn, Emily Lamour, Dominique Vernhet, Stéphane Macé, Jean-Yves Chesnel, Lamri Adoui, Jimmy Rangama, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Centre 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), Agrégats et surfaces sous excitations intenses (INSP-E10), Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), 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), GSI Helmholtzzentrum für Schwerionenforschung (GSI), Helmholtz-Institut Jena, Friedrich-Schiller-Universität = Friedrich Schiller University Jena [Jena, Germany], and ANR-13-IS04-0007,Fit-FISIC,Vers une étude des Collisions Ions Rapides - Ions Lents(2013)
Subjects: [PHYS]Physics [physics], Physics, History, Inertial frame of reference, [PHYS.PHYS.PHYS-ATOM-PH]Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph], Energy transfer, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Fusion plasma, 01 natural sciences, 010305 fluids & plasmas, Computer Science Applications, Education, Ion, Nuclear physics, Low energy, Beamline, Physics::Plasma Physics, 0103 physical sciences, ddc:530, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Current (fluid), 010306 general physics, ComputingMilieux_MISCELLANEOUS
Abstract: Journal of physics / Conference series 1412, 162011 (2020). doi:10.1088/1742-6596/1412/16/162011, Published by IOP Publ.39969, Bristol
Published: 2020
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24. On the mechanisms of formation and decomposition of peptide bonds

Author: Patrick Rousseau, Gustav Eklund, Mark H. Stockett, Paola Bolognesi, Henning Zettergren, Lorenzo Avaldi, Hanan Sa'adeh, C. Nicolafrancesco, S Indrajith, Jacopo Chiarinelli, Alicja Domaracka, Robert Richter, 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), Department of Physics [Stockholm], and Stockholm University
Subjects: [PHYS]Physics [physics], History, animal structures, integumentary system, Computational chemistry, Chemistry, embryonic structures, Peptide bond, lipids (amino acids, peptides, and proteins), Decomposition, Computer Science Applications, Education
Abstract: Synopsis The electronic structure and the fragmentation dynamics of a series of isolated cyclic-dipeptides (cyclo-Ala-Ala; cyclo-Gly-Ala; cyclo-Gly-Gly) have been studied by mass spectrometry, photoemission and photoelectron-photoion coincidence spectroscopy.
Published: 2020

25. 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

26. Production des connaissances sur les processus participatifs comme finalité de la recherche

Author: Patrick Rousseau and Anna Rurka
Subjects: 050402 sociology, 0504 sociology, Sociology and Political Science, 05 social sciences
Abstract: La recherche presentee dans cet article a ete conduite pendant plus de trois annees dans le champ de la protection de l’ enfance en France, avec les professionnels exercant les mesures d’ assistance educative sous le mandat judiciaire (Action educative en milieu ouvert – AEMO) et avec les representants d’ ATD Quart Monde. En se basant sur cet exemple, cet article contribue a la reflexion sur les finalites des recherches participatives qui, en l’ occurrence, constituent la production de connaissances sur les processus de recherche engages. Les processus de recherche influencent la legitimite et l’ appropriation possible des savoirs produits par tous les participants. Cela implique de mettre en discussion les questions cliniques liees a la pratique professionnelle et la pratique de la recherche, ainsi que les questions ethiques lies a l’ asymetrie des places et au pouvoir de et sur la recherche. La posture du chercheur dans ce contexte est loin d’ etre neutre. Le chercheur apparait comme l’ acteur d’ interface qui a la fois organise le processus et participe pleinement a ce processus, dans une articulation des savoirs qui, ensemble, alimentent la totalite de connaissances produites par la recherche participative.
Published: 2018

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

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

28. An electrostatic in-line charge-state purification system for multicharged ions in the kiloelectronvolt energy range

Author: Jimmy Rangama, Martino Trassinelli, A. Méry, D. Schury, Stéphane Macé, Patrick Rousseau, Dominique Vernhet, Emily Lamour, Jean-Marc Ramillon, Anna Lévy, Jean-Yves Chesnel, S. Steydli, Christophe Prigent, A. Kumar, Agrégats et surfaces sous excitations intenses (INSP-E10), Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), 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), ANR-13-IS04-0007,Fit-FISIC,Vers une étude des Collisions Ions Rapides - Ions Lents(2013), ANR-11-IDEX-0004,SUPER,Sorbonne Universités à Paris pour l'Enseignement et la Recherche(2011), 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: 010302 applied physics, Physics, Spectrum analyzer, Range (particle radiation), Wien filter, [PHYS.PHYS.PHYS-ATOM-PH]Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph], Atomic Physics (physics.atom-ph), FOS: Physical sciences, Charge (physics), 01 natural sciences, Physics - Atomic Physics, 010305 fluids & plasmas, Ion, Physics::Plasma Physics, Kiloelectronvolt, 0103 physical sciences, Atomic physics, Electrostatic analyzer, Instrumentation, Energy (signal processing)
Abstract: International audience; The performance of a newly built omega type electrostatic analyzer designed to act as an in-line charge-state purification system for ions in the kiloelectronvolt energy range is reported. The analyzer consists of a set of four consecutive electrostatic 140° concentric cylindrical electrodes enclosed by Matsuda electrodes. This setup was recently tested and validated using O5+, Ar9+, and Xe20+ ion beams at an energy of 14 qkeV at the ARIBE facility. A resolving power of 10.5 and a transmission of 100% of the desired charge state are measured allowing a good purification of incoming ion beams with charge states up to 10+ and a fairly good purification for charge states at least up to 20+. In comparison with other in-line solutions such as the Wien filter, our system has the advantage of being purely electrostatic and therefore lacking common drawbacks as, for example, hysteresis.
Published: 2019

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

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

30. Isomer effects in fragmentation of Polycyclic Aromatic Hydrocarbons

Author: L Giacomozzi, N. de Ruette, J. Y. Chesnel, U. Bērziņš, Mark H. Stockett, Lamri Adoui, Sylvain Maclot, Henning T. Schmidt, Henning Zettergren, Tao Chen, Patrick Rousseau, Henrik Cederquist, Bernd A. Huber, Michael Gatchell, 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 Atomic Physics and Spectroscopy [Latvia], University of Latvia (LU), 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: IONS, Collision-induced dissociation, Ionic bonding, Polycyclic aromatic hydrocarbon, Photochemistry, ANTHRACENE, 01 natural sciences, Dissociation (chemistry), Isomers, MOLECULES, chemistry.chemical_compound, Fragmentation (mass spectrometry), Fragmentation, 0103 physical sciences, Molecule, Collisions, TANDEM MASS-SPECTROMETRY, Polycyclic Aromatic Hydrocarbons, Physical and Theoretical Chemistry, COLLISION-INDUCED DISSOCIATION, 010303 astronomy & astrophysics, Instrumentation, Spectroscopy, Non-statistical fragmentation, chemistry.chemical_classification, Anthracene, Polycyclic Aromatic Hydrocarbons PAHs, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], 010401 analytical chemistry, Condensed Matter Physics, 0104 chemical sciences, DIFFERENTIATION, chemistry, IONIZATION, CATIONS, GROWTH, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Ground state, C14H10
Abstract: We have observed significant differences in the fragmentation patterns of isomeric Polycyclic Aromatic Hydrocarbon (PAH) cations following collisions with helium atoms at center-of-mass energies around 100 eV. This is in contrast to the situation at other collision energies or in photo-absorption experiments where isomeric effects are very weak and where the lowest-energy dissociation channels (H- and C2H2-loss) domihate in statistical fragmentation processes. In the 100 eV range, non-statistical fragmentation also competes and is uniquely linked to losses of single carbon atoms (CHx-losses). We find that such CHx-losses are correlated with the ionic ground state energy within a given group of isomers. We present results for three C16H10+, four C18H12+ and five C20H12+ isomers colliding with He. (C) 2015 The Authors. Published by Elsevier B.V.
Published: 2015

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

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

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

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

33. 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

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

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

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

Author: Alicja, Domaracka, Rudy, Delaunay, Arkadiusz, Mika, Michael, Gatchell, Henning, Zettergren, Henrik, Cederquist, Patrick, Rousseau, and Bernd A, Huber
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

36. 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

37. 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

38. 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

39. Numerical simulations of purification and final charge state analysis of the slow ion beam for the FISIC project

Author: A. Kumar, Jimmy Rangama, J-P Rozet, J.M. Ramillon, A. Méry, S Macé, Emily Lamour, Anna Lévy, Martino Trassinelli, D. Vernhet, Jy. Chesnel, C. Prigent, S. Steydli, Patrick Rousseau, Lamri Adoui, Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-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), Atomes, Molécules et Agrégats (AMA), and 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)
Subjects: Physics, [PHYS]Physics [physics], History, Ion beam, Charge (physics), State (functional analysis), Atomic physics, Computer Science Applications, Education
Abstract: XXX International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC 2017), 26 July - 1 August 2017, Cairns, Australie; International audience; The Fast Ion-Slow Ion Collisions (FISIC) project consists of a crossed-beam arrangement to study ion-ion collisions in the intermediate velocity regime. For the low energy channel, ion trajectory simulations has been used to develop a complete beam line that includes a new Omega type purification system located just before the collision point and a charge state analyzer after interaction.
Published: 2017

40. 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

41. Production of doubly-charged highly reactive species from the long-chain amino acid GABA initiated by Ar

Author: Dariusz Grzegorz, Piekarski, Rudy, Delaunay, Arkadiusz, Mika, Sylvain, Maclot, Lamri, Adoui, Fernando, Martín, Manuel, Alcamí, Bernd A, Huber, Patrick, Rousseau, Sergio, Díaz-Tendero, and Alicja, Domaracka
Subjects: Ions, Spectrometry, Mass, Electrospray Ionization, Quantum Theory, Electrons, Gases, Argon, Molecular Dynamics Simulation, Reactive Oxygen Species, Reactive Nitrogen Species, gamma-Aminobutyric Acid
Abstract: We present a combined experimental and theoretical study of the fragmentation of multiply-charged γ-aminobutyric acid molecules (GABA
Published: 2017

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

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

43. Ion Collisions with Biomolecules and Biomolecular Clusters

Author: Patrick Rousseau and Bernd A. Huber
Subjects: chemistry.chemical_classification, Physics::Biological Physics, Quantitative Biology::Biomolecules, Ion beam, Biomolecule, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Ion, chemistry, Fragmentation (mass spectrometry), Chemical physics, Ionization, 0103 physical sciences, Water environment, Molecule, Water cluster, 010306 general physics, 0210 nano-technology
Abstract: In this chapter we describe the recent progress which has been made in experimental studies of ion collisions with biomolecular systems, either in form of isolated biomolecules in the gas phase or as clusters containing up to several tens of biomolecules. Most of the work has been performed with projectiles which play an important role in ion beam cancer therapy applications as protons or multiply charged ions of carbon and oxygen. The biomolecular targets are characterized by an increasing complexity and include water molecules, nucleobases, nucleosides and nucleotides, as well as amino acids and protein segments. Other complex targets are heterogeneous clusters containing biomolecular systems which are embedded in a water environment. After an introduction to ion-molecule collisions using \(\text {C}_{60}\) fullerene as a model system, we will review ionization and charge transfer processes as well as ion-induced fragmentation studies. Finally we will discuss the effect of the environment considering clusters of biomolecules including hydrated systems.
Published: 2016

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

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

45. 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

46. 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

47. Habitat selection and fidelity by White-throated Sparrows (Zonotrichia albicollis): generalist species, specialist individuals?

Author: André Desrochers, Adam S. Hadley, and Patrick Rousseau
Subjects: Sparrow, biology, Occupancy, Ecology, Range (biology), fungi, Zonotrichia, biology.organism_classification, Generalist and specialist species, Habitat, biology.animal, Seasonal breeder, Biological dispersal, Animal Science and Zoology, Ecology, Evolution, Behavior and Systematics
Abstract: Individuals from habitat generalist species are often thought to be habitat generalist themselves, but this assumption should be examined in light of mounting evidence for native and phenotypic habitat preference. We experimentally tested whether the White-throated Sparrow ( Zonotrichia albicollis (Gmelin, 1789)) exhibits habitat preferences at the individual level. The White-throated Sparrow was a habitat generalist species in our study area, with high occupancy of clearcuts as well as mature forests. However, males in mature forests whose territories were clear-cut in the winter following their breeding season (n = 14), dispersed twice as far as males from uncut mature forests (n = 21). New territories selected by males after clearcuts contained significantly more mature forest than what remained in the territory that they abandoned, but not as much mature forest as was found in their former territory. Gain in uncut habitat after dispersal was positively correlated with dispersal distance. Clear-cut locations left vacant by dispersing males were colonized by new conspecifics. Our results suggest that individual sparrows use only a subset of their species’ wide range of habitats. We question the assumption that individuals from a generalist species are versatile and unlikely to be affected by habitat disturbance.
Published: 2012

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

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

49. Grazing Incidence Fast Atom Diffraction (GIFAD): Doing RHEED with Atoms

Author: P. Soulisse, Hocine Khemliche, A. Momeni, Philippe Roncin, and Patrick Rousseau
Subjects: Diffraction, Range (particle radiation), Reflection high-energy electron diffraction, Energetic neutral atom, Chemistry, chemistry.chemical_element, Bioengineering, Surfaces and Interfaces, Electron, Condensed Matter Physics, Surfaces, Coatings and Films, Mechanics of Materials, Atom, Atomic physics, Single crystal, Helium, Biotechnology
Abstract: We describe a new diffraction technique to investigate the surface of single crystal surfaces. Its geometry is the same as that of the RHEED technique. In GIFAD, instead of 10-30 keV electrons, the projectiles are neutral atoms (mainly helium) with energies in the keV range. We present few results obtained with GIFAD highlighting the simplicity of interpretation. [DOI: 10.1380/ejssnt.2010.101]
Published: 2010

50. Luminescence from low-energy impact of Hn+ and Dn+ ions (n= 1,2,3) on a Tore Supra carbon tile

Author: Ch. Ottinger, A. Ławicki, Patrick Rousseau, and A. Kowalski
Subjects: 010302 applied physics, Nuclear and High Energy Physics, Hydrogen, Chemistry, chemistry.chemical_element, Balmer series, Tore Supra, 01 natural sciences, 7. Clean energy, Ion, symbols.namesake, Physics::Plasma Physics, Excited state, 0103 physical sciences, symbols, Atomic physics, 010306 general physics, Luminescence, Instrumentation, Carbon, Excitation
Abstract: The hydrogen Balmer series was observed when beams of H+, H 2 + , H 3 + and D+, D 2 + , D 3 + ions impinged at 100–1000 eV on a carbon fiber composite tile (Tore Supra). The excitation functions of the Hβ (Dβ) lines demonstrate the validity of the independent particle model. The logarithmic plot of the Hβ (Dβ) line intensity versus the reciprocal projectile ion velocity can be well reproduced by a model in which the hydrogen ion projectiles are neutralized in the entrance phase and subsequently electronically excited in collisions with carbon atoms. Finally, the excited hydrogen atoms leave the solid and emit the observed photons, unless they are quenched in non-radiative processes.
Published: 2008

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