The kinetics of photochemical reactions. Part II. Calculation of kinetic parameters for the intermolecular hydrogen abstraction reactions of the triplet state of carbonyl compounds
- 1 January 1972
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 11,p. 1672-1676
- https://doi.org/10.1039/p29720001672
Abstract
By application of a novel method based on the Bond-Energy–Bond-Order method, a series of kinetic parameters for reactions involving hydrogen abstraction by carbonyl triplets have been calculated. In principle the method is only applicable in the gas-phase; however, a good agreement with experiment is generally observed in reactions involving n–π* triplets in non-polar solvents. The possibility of using the method for carbonyl compounds having low lying π–π* triplets is discussed. A series of pre-calculated kinetic parameters are reported in order to allow the fast estimation of rate constants avoiding detailed calculations.Keywords
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