Abstract
The H + HC1 potential surfaces for both reaction channels are calculated by a modified diatomics-in-molecules method including three-center molecular integrals Using the same adjustable parameters as for the FH 2 system, we obtain barrier heights of 5.2 kcal mole (abstraction) and 14.2 kcal mole (exchange). Changing one adjustable parameter only and fitting the experimental difference between the activation energies of the two reaction channels, we obtain 4.9 and 3.9 kcal mole respectively for the abstraction and exchange barrier heights.
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.
