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

IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI:10.1134/S1990793124701409
V. M. Azriel’, V. M. Akimov, E. V. Ermolova, D. B. Kabanov, L. I. Kolesnikova, L. Yu. Rusin, M. B. Sevryuk
{"title":"A Comparative Analysis of Simulation of Collision Induced Dissociation on Two Different Potential Energy Surfaces","authors":"V. M. Azriel’,&nbsp;V. M. Akimov,&nbsp;E. V. Ermolova,&nbsp;D. B. Kabanov,&nbsp;L. I. Kolesnikova,&nbsp;L. Yu. Rusin,&nbsp;M. B. Sevryuk","doi":"10.1134/S1990793124701409","DOIUrl":null,"url":null,"abstract":"<p>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<sup>+</sup>) are practically independent of the interaction potential between Xe and Br<sup>–</sup>.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1462 - 1472"},"PeriodicalIF":1.4000,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Journal of Physical Chemistry B","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S1990793124701409","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
引用次数: 0

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.

Abstract Image

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
两种不同势能面上碰撞诱导解离模拟的比较分析
本文给出了CsBr分子与Xe原子(碰撞能量为3 ~ 12 eV)在两个非绝热势能面上碰撞离解的准经典轨迹模拟结果,这两个非绝热势能面对于氙原子和溴离子之间的成对相互作用势的势阱和排斥壁参数不同。两个解离通道(原子离子的形成和离子络合物XeCs+的形成)的动力学特性实际上与Xe和Br -之间的相互作用势无关。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Russian Journal of Physical Chemistry B
Russian Journal of Physical Chemistry B 化学-物理:原子、分子和化学物理
CiteScore
2.20
自引率
71.40%
发文量
106
审稿时长
4-8 weeks
期刊介绍: Russian Journal of Physical Chemistry B: Focus on Physics is a journal that publishes studies in the following areas: elementary physical and chemical processes; structure of chemical compounds, reactivity, effect of external field and environment on chemical transformations; molecular dynamics and molecular organization; dynamics and kinetics of photoand radiation-induced processes; mechanism of chemical reactions in gas and condensed phases and at interfaces; chain and thermal processes of ignition, combustion and detonation in gases, two-phase and condensed systems; shock waves; new physical methods of examining chemical reactions; and biological processes in chemical physics.
期刊最新文献
Physical and Chemical Analysis of the Lipofuscin Granule of Bisretinoid Photodestruction Products From Retinal Pigment Epithelium Cells of the Eye Cardiac Troponin I Determination by an ELISA on Magnetic Particles with Electrochemical Detection Effect of the Light Spectrum on the Elastic-Mechanical Properties of Sclera and Myopia Development A Generalized Method for the Estimation of the Intensity of Electron-Phonon Interaction in Photosynthetic Pigments using the Evolutionary Optimization Algorithm Quantum-Chemical Simulation of the Interaction of C60 Fullerenes With Growth Radicals of the Allyl Chloride Vinyl-Type Model
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1