离子-分子反应中激光相位诱导的电位表面倾斜度变化和束缚态产生:在Na++CH4中的应用

H. Talaat, El-Wallid S. Sedik, M. T. E. Kamal
{"title":"离子-分子反应中激光相位诱导的电位表面倾斜度变化和束缚态产生:在Na++CH4中的应用","authors":"H. Talaat, El-Wallid S. Sedik, M. T. E. Kamal","doi":"10.12988/ASTP.2021.91546","DOIUrl":null,"url":null,"abstract":"Laser ion-molecule reaction interaction through both polarizability and dipole moment contribution leads to intersection in potential energy surface along the reaction path, polarizability is maximum at (s=4.5 a.u.) and dipole changes at (s=1 a.u.) defining a virtual transition state. We will show here by using gauge representation for wave length λ=20.6μm, Intensity I=5×10 W/cm till I=5×10 W/cm, that the laser induced potential energy surface can decrease in height along the reaction path with possibility of creating bound states in the virtual transition state. We illustrate such effects for the Na H + CH3 +  Na + CH4 reaction which takes the form of inverted Morse (without a barrier) using ab-initio methods for calculating the reaction path, electric properties of the ion-molecule reaction. 188 Hassan Talaat, El-Wallid S. Sedik and M. Tag El-Din Kamal","PeriodicalId":127314,"journal":{"name":"Advanced Studies in Theoretical Physics","volume":"15 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Variation of potential surface inclination and bound state creation induced by laser phase along the reaction path in ion-molecule reactions: application to Na++CH4\",\"authors\":\"H. Talaat, El-Wallid S. Sedik, M. T. E. Kamal\",\"doi\":\"10.12988/ASTP.2021.91546\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Laser ion-molecule reaction interaction through both polarizability and dipole moment contribution leads to intersection in potential energy surface along the reaction path, polarizability is maximum at (s=4.5 a.u.) and dipole changes at (s=1 a.u.) defining a virtual transition state. We will show here by using gauge representation for wave length λ=20.6μm, Intensity I=5×10 W/cm till I=5×10 W/cm, that the laser induced potential energy surface can decrease in height along the reaction path with possibility of creating bound states in the virtual transition state. We illustrate such effects for the Na H + CH3 +  Na + CH4 reaction which takes the form of inverted Morse (without a barrier) using ab-initio methods for calculating the reaction path, electric properties of the ion-molecule reaction. 188 Hassan Talaat, El-Wallid S. Sedik and M. Tag El-Din Kamal\",\"PeriodicalId\":127314,\"journal\":{\"name\":\"Advanced Studies in Theoretical Physics\",\"volume\":\"15 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1900-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advanced Studies in Theoretical Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.12988/ASTP.2021.91546\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced Studies in Theoretical Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.12988/ASTP.2021.91546","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

通过极化率和偶极矩贡献的激光离子-分子反应相互作用导致沿反应路径的势能面相交,极化率在(s=4.5 a.u)处最大,偶极子在(s=1 a.u)处发生变化,定义了虚过渡态。在波长λ=20.6μm,强度I=5×10 W/cm至I=5×10 W/cm的情况下,我们将使用规范表示来证明,激光诱导势能面可以沿着反应路径的高度减小,并有可能在虚拟过渡态中产生束缚态。我们对Na H + CH3 +Na + CH4反应的这种效应进行了说明,该反应采用倒莫尔斯形式(没有势垒),使用从头算方法计算了反应路径,离子分子反应的电学性质。188 Hassan Talaat, El-Wallid S. Sedik和M. Tag El-Din Kamal
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Variation of potential surface inclination and bound state creation induced by laser phase along the reaction path in ion-molecule reactions: application to Na++CH4
Laser ion-molecule reaction interaction through both polarizability and dipole moment contribution leads to intersection in potential energy surface along the reaction path, polarizability is maximum at (s=4.5 a.u.) and dipole changes at (s=1 a.u.) defining a virtual transition state. We will show here by using gauge representation for wave length λ=20.6μm, Intensity I=5×10 W/cm till I=5×10 W/cm, that the laser induced potential energy surface can decrease in height along the reaction path with possibility of creating bound states in the virtual transition state. We illustrate such effects for the Na H + CH3 +  Na + CH4 reaction which takes the form of inverted Morse (without a barrier) using ab-initio methods for calculating the reaction path, electric properties of the ion-molecule reaction. 188 Hassan Talaat, El-Wallid S. Sedik and M. Tag El-Din Kamal
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
×
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
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
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 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信