State-to-state differential cross sections for a four-atom reaction: H2 + OH → H2O + H in full dimensions.

Abstract

The time-dependent wave packet method has been employed to calculate state-to-state differential cross sections for the title reaction in full dimensions. It is found that the majority of H2O is produced in the first stretching excited states, with a large fraction of available energy for the reaction ending up as product internal motion. The differential cross sections for collision energy up to 0.4 eV are all peaked in the backward direction, but the width of the angular distribution increases considerably as the increase of collision energy. The isotope effect was also examined by comparing the scattering angular distribution for the title reaction with those for the HD + OH and D2 + OH reactions obtained in our previous work.