A Comparative Analysis of Simulation of Collision Induced Dissociation on Two Different Potential Energy Surfaces

We present the results of quasiclassical trajectory simulation of dissociation of CsBr molecules in collisions with Xe atoms (at collision energies ranging from 3 to 12 eV) on two diabatic potential energy surfaces differing in the parameters of the potential well and of the repulsive wall for the pairwise interaction potential between the xenon atom and the bromide anion. The dynamical characteristics of both the dissociation channels (of the formation of the atomic ions and of that of the ionic complex XeCs+) are practically independent of the interaction potential between Xe and Br–.

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Publication Details

Journal
Russian Journal of Physical Chemistry B
Published
2024-12-01
DOI
https://doi.org/10.1134/s1990793124701409
Citations
5
Primary Topic
Ion-surface interactions and analysis
Type
article
Field-Weighted Citation Impact
1.87
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article

A Comparative Analysis of Simulation of Collision Induced Dissociation on Two Different Potential Energy Surfaces

L. I. Kolesnikova, D. B. Kabanov, Mikhail B. Sevryuk, L. Yu. Rusin et al.
5 citations
Russian Journal of Physical Chemistry B
Ion-surface interactions and analysis
1.87
article

A Comparative Analysis of Simulation of Collision Induced Dissociation on Two Different Potential Energy Surfaces

L. I. Kolesnikova, D. B. Kabanov, Mikhail B. Sevryuk, L. Yu. Rusin, V. M. Azriel’, V. M. Akimov, E. V. Ermolova
article en
5 citations

Abstract

We present the results of quasiclassical trajectory simulation of dissociation of CsBr molecules in collisions with Xe atoms (at collision energies ranging from 3 to 12 eV) on two diabatic potential energy surfaces differing in the parameters of the potential well and of the repulsive wall for the pairwise interaction potential between the xenon atom and the bromide anion. The dynamical characteristics of both the dissociation channels (of the formation of the atomic ions and of that of the ionic complex XeCs+) are practically independent of the interaction potential between Xe and Br–.

Russian Journal of Physical Chemistry BVol. 18(6)
Semenov Institute of Chemical Physics (RU), Institute of Energy Problems of Chemical Physics (RU)
Affordable and clean energy
Openalex Percentile: Top 15%
Ion-surface interactions and analysis
1.87
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