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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
Abstract
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 photoelectron–photoion coincidence experiments and the different mass spectra obtained when ions ranging from Ar+ to Xe25+ 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.
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Authors (13)
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Néstor Aguirre
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Suvasthika Indrajith
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Jacopo Chiarinelli
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Alicja Domaracka
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Bernd Alan Huber
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Paola Bolognesi dr
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Robert Richter
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Lorenzo Avaldi
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Sergio Díaz-Tendero
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Manuel Alcamí
Cite as
Full text
- Publication version
- Accepted or Published Version
- License
- Copyright (2021 Royal Society of Chemistry)
Keywords
Details
- Category:
- Articles
- Type:
- artykuły w czasopismach
- Published in:
-
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
no. 23,
pages 1859 - 1867,
ISSN: 1463-9076 - Language:
- English
- Publication year:
- 2021
- Bibliographic description:
- Erdmann E., Aguirre N., Indrajith S., Chiarinelli J., Domaracka A., Rousseau P., Huber B. A., Bolognesi P., Richter R., Avaldi L., Díaz-Tendero S., Alcamí M., Łabuda M.: A general approach to study molecular fragmentation and energy redistribution after an ionizing event// PHYSICAL CHEMISTRY CHEMICAL PHYSICS -Vol. 23,iss. 3 (2021), s.1859-1867
- DOI:
- Digital Object Identifier (open in new tab) 10.1039/d0cp04890a
- Verified by:
- Gdańsk University of Technology
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