The stereodynamics of the O (D-1) plus HCl reaction and its isotopic variants (DCl)

The stereodynamics of the title reaction on the ground I (1)A' potential energy surface (PES) is studied using the quasi-classical trajectory (QCT) method. The vector properties including angular momentum alignment distributions and polarization-dependent differential cross-sections (PDDCS) of the product OH are presented. The influence of isotopic substitute and collision energy on the product vector properties is also studied in the present work. The results indicate that the distributions of the P(Or) and P(phi(r)) are sensitively affected by the collision energy and isotopic substitute. The increase of collision energy and D atom substitute decreases the degree of alignment and orientation, respectively. The ((27 pi/sigma)(d sigma(00)/d omega(t))) shows that the OH product is preferentially forward scattering and decreases with the D atom substitute, but increases with the increases of collision energy. The isotopic substitute and collision energy also causes some effects on the other three PDDCSs. Crown Copyright (C) 2009 Published by Elsevier B.V. All rights reserved.