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Resonant fragmentation of the water cation by electron impact: a Wave-Packet study

Author
Benito Gómez, Ignacio; Méndez Ambrosio, Luisuntranslated; Suárez, Jaime; Gorfinkiel, Jimena D.; Rabadán Romero, Ismanueluntranslated
Entity
UAM. Departamento de Química
Publisher
Wiley
Date
2023-07-18
Citation
ChemPhysChem (2023): e202300305
ISSN
1439-4235 (print); 1439-7641 (online)
DOI
10.1002/cphc.202300305
Funded by
This research was funded by Ministerio de Economía y Competitividad (Spain), project No. FIS2017-84684-R, Ministerio de Ciencia e Innovación (Spain), project No. PLEC2022-009256 and Comunidad de Madrid (Spain), project No. 2022/BMD-7434
Project
Gobierno de España. FIS2017-84684-R; Gobierno de España. PLEC2022-009256
Editor's Version
https://doi.org/10.1002/cphc.202300305
Subjects
Dissociative excitation; Dissociative recombination; Fragmentation of H O 2 +; Fragmentation of water; Resonant states; Química
URI
http://hdl.handle.net/10486/708503
Rights
© 2023 The Authors

Licencia de Creative Commons
Esta obra está bajo una licencia de Creative Commons Reconocimiento-NoComercial-SinObraDerivada 4.0 Internacional.

Abstract

We have investigated the dissociation of a resonant state that can be formed in low energy electron scattering from H2O+. We have chosen the second triplet resonance above the (Formula presented.) (Formula presented.) state of H2O+ whose autoionization mainly produces H2O+ ((Formula presented.)). We have considered both dissociation of the resonant state itself, dissociative recombination (DR), or the dissociation of the H2O+ cation after autodetachment, dissociative excitation (DE). The time-evolution of a wave packet on the potential energy surfaces of the resonance and cationic states shows, for the initial conditions studied, that the probability for DR is about 38 % while the probability for DE is negligible
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Google™ Scholar:Benito Gómez, Ignacio - Méndez Ambrosio, Luis - Suárez, Jaime - Gorfinkiel, Jimena D. - Rabadán Romero, Ismanuel

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