Delayed Dissociation and Transient Isomerization during the Ultrafast Photodissociation of the Tribromomethane Cation

IF 4.6 2区 化学 Q2 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry Letters Pub Date : 2024-12-02 DOI:10.1021/acs.jpclett.4c02838
Surjendu Bhattacharyya, Enliang Wang, Kurtis Borne, Keyu Chen, Anbu Selvam Venkatachalam, Huynh Van Sa Lam, Farzaneh Ziaee, Shashank Pathak, Anton Khmelnitskiy, Kevin D. Carnes, Charles W. Fehrenbach, Itzik Ben-Itzhak, Artem Rudenko, Daniel Rolles
{"title":"Delayed Dissociation and Transient Isomerization during the Ultrafast Photodissociation of the Tribromomethane Cation","authors":"Surjendu Bhattacharyya, Enliang Wang, Kurtis Borne, Keyu Chen, Anbu Selvam Venkatachalam, Huynh Van Sa Lam, Farzaneh Ziaee, Shashank Pathak, Anton Khmelnitskiy, Kevin D. Carnes, Charles W. Fehrenbach, Itzik Ben-Itzhak, Artem Rudenko, Daniel Rolles","doi":"10.1021/acs.jpclett.4c02838","DOIUrl":null,"url":null,"abstract":"We present a time-resolved measurement of the photodissociation and photoisomerization dynamics of bromoform (CHBr<sub>3</sub>) in the mono- and di-cationic states produced by near-infrared (NIR) strong-field ionization. The dissociation process is probed by NIR-induced Coulomb explosion imaging. We find that for dissociation channels involving production of HBr and Br<sub>2</sub> fragments, which require the formation of new bonds, the dissociation appears to be delayed with respect to the primary C–Br bond dissociation channel. <i>Ab initio</i> molecular dynamics simulations support the observed delay. Moreover, the simulations suggest that reaction pathways involving transient isomerization via H- and Br-migration in the CHBr<sub>3</sub> monocation are responsible for the formation of the HBr and Br<sub>2</sub> fragments.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"18 1","pages":""},"PeriodicalIF":4.6000,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry Letters","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpclett.4c02838","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

We present a time-resolved measurement of the photodissociation and photoisomerization dynamics of bromoform (CHBr3) in the mono- and di-cationic states produced by near-infrared (NIR) strong-field ionization. The dissociation process is probed by NIR-induced Coulomb explosion imaging. We find that for dissociation channels involving production of HBr and Br2 fragments, which require the formation of new bonds, the dissociation appears to be delayed with respect to the primary C–Br bond dissociation channel. Ab initio molecular dynamics simulations support the observed delay. Moreover, the simulations suggest that reaction pathways involving transient isomerization via H- and Br-migration in the CHBr3 monocation are responsible for the formation of the HBr and Br2 fragments.

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
三溴甲烷阳离子超快光解离过程中的延迟解离和瞬态异构化
我们提出了在近红外(NIR)强场电离产生的单离子和双离子状态下溴仿(CHBr3)的光解和光异构化动力学的时间分辨测量。利用nir诱导的库仑爆炸成像技术对分离过程进行了探测。我们发现,对于需要形成新键的HBr和Br2片段产生的解离通道,相对于主要的C-Br键解离通道,解离似乎延迟了。从头算分子动力学模拟支持观察到的延迟。此外,模拟表明,在CHBr3单位中,通过H-和br -迁移进行的瞬态异构化反应途径是HBr和Br2片段形成的原因。
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
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
9.60
自引率
7.00%
发文量
1519
审稿时长
1.6 months
期刊介绍: The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.
期刊最新文献
Coupled Electrical Transport Crossover and Phonon Anomalies in 1T-SnSe2. Probing Adsorption Configurations and Reaction Selectivity in Plasmon-Induced Reactions at the Nanoscale via Tip-Enhanced Raman Spectroscopy. Integrating DFT and Machine Learning for Mechanistic Elucidation and Catalyst Optimization in DAP-Catalyzed Asymmetric Aza-Mislow-Evans Reactions. Nonconjugative Planarization through sp3-Carbon Bridging: A Geometry-Guided Design Principle for High Mobility Triphenylamine-Based Semiconductors Atomic Cascade Catalysts for Expedited Sulfur Conversions in Low-Temperature Lithium-Sulfur Batteries.
×
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:604180095
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