Abstract
Reaction pathways for the decomposition of fluoroformic and chloroformic acids, FC(O)OH and CIC(O)OH, have been studied using ab initio methods. Equilibrium geometries and transition state structures have been fully optimized at the Hartree-Fockand second-order Møller-Plesset levels of theory. The most favorable reaction pathway is molecular dissociation into CO 2 and hydrogen halide (HF or HCl). Dissociation into radical fragments are energetically non-favorable processes.
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.
