Product Angular and Rovibrational State Distributions of the Li + HF(v=0, j=0) → LiF(v', j') + H Reaction

Abstract

A state-to-state dynamics analysis of the title reaction has been investigated via the quasiclassical trajecory method. Results of the product state resolved differential cross sections, polarization parameters, as well as rovibrational state distributions were revealed and discussed, most of which agree well with the recent quantum mechanics study by Roncero and co-workers. It was found that more than 82.28% of reactive trajectories undergo the direct reaction mechanism. The title reaction occurs predominantly in the head-end collision.