Influences of the low collision energies and isotopic variants on the stereodynamics for reactions Li+DF/TF→LiF+D/T

X. Zhuang, Ju‐Beom Song, Luyan Sun, Tiantian Wang, Xinguo Liu
{"title":"Influences of the low collision energies and isotopic variants on the stereodynamics for reactions Li+DF/TF→LiF+D/T","authors":"X. Zhuang, Ju‐Beom Song, Luyan Sun, Tiantian Wang, Xinguo Liu","doi":"10.4208/JAMS.101317.121217A","DOIUrl":null,"url":null,"abstract":"Stereodynamics for Li+DF/TF→LiF+D/T reactions are studied using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniaga [J. Chem. Phys. 119 (2003) 10088]. The product angular distributions of and , which reflect the vector correlation, are calculated and discussed. The average rotational alignment factor 〈 〉 as function of the collision energy is also presented. Furthermore, four polarization-dependent differential cross sections (PDDCSs), namely, PDDCS00, PDDCS20, PDDCS21and PDDCS22+ are calculated as well. By comparing the stereodynamics results of the title reactions, we find that the isotopic effects are relatively obvious.","PeriodicalId":15131,"journal":{"name":"Journal of Atomic and Molecular Sciences","volume":"32 1","pages":"117-121"},"PeriodicalIF":0.0000,"publicationDate":"2018-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Atomic and Molecular Sciences","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.4208/JAMS.101317.121217A","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

Abstract

Stereodynamics for Li+DF/TF→LiF+D/T reactions are studied using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniaga [J. Chem. Phys. 119 (2003) 10088]. The product angular distributions of and , which reflect the vector correlation, are calculated and discussed. The average rotational alignment factor 〈 〉 as function of the collision energy is also presented. Furthermore, four polarization-dependent differential cross sections (PDDCSs), namely, PDDCS00, PDDCS20, PDDCS21and PDDCS22+ are calculated as well. By comparing the stereodynamics results of the title reactions, we find that the isotopic effects are relatively obvious.
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
低碰撞能和同位素变化对Li+DF/TF→LiF+D/T反应立体动力学的影响
基于Aguado和Paniaga构建的新势能面,采用准经典轨迹法研究了Li+DF/TF→LiF+D/T反应的立体动力学。化学。物理学报,2003,19(3):1088。计算并讨论了反映矢量相关性的和的积角分布。平均旋转对准因子< >是碰撞能量的函数。此外,还计算了PDDCS00、PDDCS20、pddcs21和PDDCS22+四个偏振相关微分截面(pddcs)。通过对比标题反应的立体动力学结果,我们发现同位素效应是比较明显的。
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
Journal of Atomic and Molecular Sciences
Journal of Atomic and Molecular Sciences PHYSICS, ATOMIC, MOLECULAR & CHEMICAL-
自引率
0.00%
发文量
1
期刊最新文献
Sulfide doped cobalt oxide nanosphere as a highly efficient electrocatalyst for oxygen evolution reaction Integrated Co-Ni-Se network on Ni foam as an efficient electrocatalyst for Alkaline Hydrogen Evolution B-NiCo2O4/NF as an efficient electrocatalyst for HER Angular distributions of molecular photofragments by intense ultrashort laser pulses Theoretical investigation on the antioxidant activity of p-cresol and its derivatives: Effects of propenyl group and solvents
×
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