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 quasiclassical trajectory (QCT) method. The product distribution of the dihedral angle, P(φ_r), and that of the angle between k and j', P(θ_r), 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 centerof-mass frame. The results indicate that the vector properties are sensitive to the reagent vibrational quantum number.