On the Franck–Condon behavior of the H+Cl2 reaction

Abstract

Extended quantum collinear calculations of the H+Cl2 reaction have been compared with model results in order to single out distinctive properties of reactive probabilities for a reaction thought to be governed by a Franck–Condon mechanism. Such an analysis has shown that even a simple model is able to rationalize the Franck–Condon contributions to the product vibrational distribution when the energy dependence of the exact quantum results is taken into account properly. On top of that, it has been shown that the product vibrational distribution of a Franck–Condon driven reaction need not have v+1 peaks (v being the initial vibrational state of reactants).