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 differen- tial cross sections, polarization parameters, as well as rovibrational state distributions were revealed and discussed, most of which agree well with the recent quantum me- chanics 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.