Vibrational excitation in atom exchange reactions
- 1 January 1974
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 70, 1496-1503
- https://doi.org/10.1039/f29747001496
Abstract
A simple, predictive, retreat coordinate model has been developed for the calculation of vibrational distributions in exothermic atom transfer reactions. Reaction is assumed to take place over a BEBO (bond energy–bond order) potential energy surface and the relative contributions made by attractive and repulsive release are assessed. The method has been applied to three types of reaction system, X + HY, H + XY and X + YZ.Keywords
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