A general approach to study molecular fragmentation and energy redistribution after an ionizing event
| Autor: | 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 |
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| Přispěvatelé: | 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), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR) |
| Rok vydání: | 2021 |
| Předmět: |
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 |
| Zdroj: | Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23 (3), pp.1859-1867. ⟨10.1039/D0CP04890A⟩ Physical Chemistry Chemical Physics, 2021, 23 (3), pp.1859-1867. ⟨10.1039/D0CP04890A⟩ Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia instname PCCP. Physical chemistry chemical physics 23 (2021): 1859–1867. doi:10.1039/d0cp04890a info:cnr-pdr/source/autori:Erdmann, Ewa; Aguirre, Nestor F.; Indrajith, Suvasthika; Chiarinelli, Jacopo; Domaracka, Alicja; Rousseau, Patrick; Huber, Bernd A.; Bolognesi, Paola; Richter, Robert; Avaldi, Lorenzo; Diaz-Tendero, Sergio; Alcami, Manuel; Labuda, Marta/titolo:A general approach to study molecular fragmentation and energy redistribution after an ionizing event/doi:10.1039%2Fd0cp04890a/rivista:PCCP. Physical chemistry chemical physics (Print)/anno:2021/pagina_da:1859/pagina_a:1867/intervallo_pagine:1859–1867/volume:23 |
| ISSN: | 1463-9084 1463-9076 |
| DOI: | 10.1039/D0CP04890A⟩ |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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