Delayed Dissociation and Transient Isomerization during the Ultrafast Photodissociation of the Tribromomethane Cation
2024; American Chemical Society; Linguagem: Inglês
10.1021/acs.jpclett.4c02838
ISSN1948-7185
AutoresSurjendu Bhattacharyya, Enliang Wang, Kurtis Borne, Keyu Chen, Anbu Selvam Venkatachalam, Huynh Van Sa Lam, Farzaneh Ziaee, Shashank Pathak, Anton Khmelnitskiy, K. D. Carnes, Charles Fehrenbach, I. Ben-Itzhak, Artem Rudenko, Daniel Rolles,
Tópico(s)Mass Spectrometry Techniques and Applications
ResumoWe 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.
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