The reagent vibrational excitation effect on the stereodynamics of the reaction O(1D)+ HBr → OH + Br

Calculations on the dynamics of the reaction O(1D) + HBr → OH + Br are performed on the ab initio potential energy surfaces (PESs) of the ground state given by Peterson [Peterson K A J. Chem. Phys. 113 4598 (2000)] using the quasi-classical trajectory (QCT) method. The product distribution of the dihedral angle, P(φr), and that of the angle between k and j', P (θr), are presented in three dimensions. Moreover, we also investigate the reagent vibrational excitation effects on the two polarization-dependent generalized differential cross sections (PDDCS), PDDCS00 and PDDCS20, in the center-of-mass frame. The results indicate that the vector properties are sensitive to the reagent vibrational quantum number. (atomic and molecular physics)