Resonant fragmentation of the water cation by electron impact: a Wave-Packet study
Entity
UAM. Departamento de QuímicaPublisher
WileyDate
2023-07-18Citation
10.1002/cphc.202300305
ChemPhysChem (2023): e202300305
ISSN
1439-4235 (print); 1439-7641 (online)DOI
10.1002/cphc.202300305Funded 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-7434Project
Gobierno de España. FIS2017-84684-R; Gobierno de España. PLEC2022-009256Editor's Version
https://doi.org/10.1002/cphc.202300305Subjects
Dissociative excitation; Dissociative recombination; Fragmentation of H O 2 +; Fragmentation of water; Resonant states; QuímicaRights
© 2023 The Authors
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
Files in this item
Google Scholar:Benito Gómez, Ignacio
-
Méndez Ambrosio, Luis
-
Suárez, Jaime
-
Gorfinkiel, Jimena D.
-
Rabadán Romero, Ismanuel
This item appears in the following Collection(s)
Related items
Showing items related by title, author, creator and subject.