The kinetics of photochemical reactions. Part II. Calculation of kinetic parameters for the intermolecular hydrogen abstraction reactions of the triplet state of carbonyl compounds

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.