Abstract
Abstract All species involving the reaction system of CF3Br+O (3P, 1D) has been optimized extensively using Gaussian94 procedure at the B3LYP/6-311++G** level. The overall profile of potential energy surface was drawn out. We used the vibrational mode analysis to elucidate the reaction mechanism, and used electron population analysis to study the geometry of five intermediates and three transition states. Intermediate CF3OBr has the lowest internal energy on the potential energy surface, and CF2O+BrF are the end products.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.