Quasi-classical trajectory approach to the O(1D)+HBr→OH+Br reaction stereo-dynamics on X1A′ potential energy surface

Abstract

The vector properties of reaction O(1D)+HBr→OH+Br on the potential energy surface (PES) of X1A′ ground singlet state are studied by using the quasi-classical trajectory (QCT) theory. The polarization-dependent differential cross sections (PDDCSs), the average rotational alignment factor 〈P2(j′ · k)〉, as well as the distributions reflecting vector correlations are also computed. The analysis of the results shows that the alignment and the orientation distribution of the rotation angular momentum vector of product molecule OH is influenced by both the effect of heavy—light—heavy (HLH) type mass combination and the deep well of PES.