Isotope effect on the stereodynamics for the collision reaction H+LiF(ν = 0, j = 0) → HF+Li

Abstract

Stereodynamics for the reaction H+LiF(ν = 0, j = 0) → HF+Li and its isotopic variants on the ground-state (12A′) potential energy surface (PES) are studied by employing the quasi-classical trajectory (QCT) method. At a collision energy of 1.0 eV, product rotational angular momentum distributions P(θr), P(φr), and P(θr, φr), are calculated in the center-of-mass (CM) frame. The results demonstrate that the product rotational angular momentum j′ is not only aligned along the direction perpendicular to the reagent relative velocity vector k, but also oriented along the negative y axis. The four generalized polarization-dependent differential cross sections (PDDCSs) are also computed. The PDDCS00 distribution shows a preferential forward scattering for the product angular distribution in each of the three isotopic reactions, which indicates that the title collision reaction is a direct reaction mechanism. The isotope effect on the stereodynamics is revealed and discussed in detail.