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":4.8000,"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.
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.