Stereodynamics Study of Li+HF/DF/TF→LiF+H/D/T Reactions on X2 A′ Potential Energy Surface

Abstract

The product rotational polarizations of reactions Li+HF/DF/TF at different collision energies are calculated using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniagua [J. Chem. Phys. 119(2003) 10088]. We investigate the P(θr) distributions describing the k–j′ correlation, the P(ϕr) distributions describing the k–k′–j′ correlation, and the four polarization-dependent generalized differential cross sections. Furthermore, we compare the influences of mass factor and collision energy in detail and find that the isotope substitution has more impact on the distribution of the product's angular momentum vectors than the collision energy.