Abstract
The rate constant of the unimolecular decomposition reaction of the CF3CCl2O radical was calculated by using the method proposed by Yao and Lin (YL method). Two important channels of decomposition occurring via C–C and C–Cl bond scission were investigated. The results show that C–Cl bond scission is the dominant channel during the decomposition of the CF3CCl2O radical. Especially, the reasonable anharmonic effect on the decomposition reaction was investigated. The results show that the harmonic rate constants are higher than those of the anharmonic case in both microcanonical and canonical systems. The anharmonic effect is more evident with increasing energy.
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.
