Theoretical study of product polarization of O(1D) + HCl(v = 0; j = 0) → ClO + H and its isotope exchange reaction

Abstract

O(1D) + HCl(v = 0; j = 0) → ClO + H and its isotope exchange reaction O(1D) + DCl(v = 0; j = 0) → ClO + D are studied in the collision energy range 14.0–20.0 kcal/mol based on the potential energy surface 1[Formula: see text] state. Reaction probabilities, integral cross sections, the two angular distribution functions (concerning the initial/final velocity vector, and the product rotational momentum vector), and the product rotational alignment parameters are calculated as a function of the collision energy for the two reactions. The four generalized polarization dependent differential cross sections are presented to manifest the polarization characters. Also, the effect of the collision energy and the kinetic isotope effect are studied.