Influence of collision energy and reagent vibrational excitation on the stereodynamics of reaction Ar+H2+→ArH++H

Abstract

The quasi-classical trajectory is calculated for the reaction Ar+H2+→ArH++H (12A’) on the latest potential surface. The correlated integral reaction cross section, P(θr), P(φr) distribution and the polarization dependent differential cross sections polariztion dependent differential cross sections (PDDCSs) are discussed in detail. The results show that the integral reaction cross sections are well consistent with the experimental values at different collision energies and reagent vibrational excitations which indicates that our potential energy surface is accurate. The results indicate that the vibration excitation has less influence on the P(θr) distribution than the collision energy. The P(φr) distribution, and PDDCS are quite sensitive to collision energy and reagent vibrational excitation.