Abstract
The three-center (3C) and four-center (4C) HBr eliminations in the photodissociation of vinyl bromide at 193 nm were investigated by direct quasiclassical trajectory (QCT) calculations using a semiempirical AM1 Hamiltonian with specific reaction parameters. The trajectories were initiated at the corresponding transition states under microcanonical conditions. The calculations show that the 4C distributions are displaced towards higher J values in comparison with the 3C distributions. The total QCT rotational distributions, i.e., those obtained by weighted sums of the 3C and 4C contributions, do not follow the bimodal pattern obtained elsewhere by time-resolved Fourier transform spectroscopy in a flow system.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
