Abstract
The H+NaF reaction is investigated at the quantum state-resolved level using the time-dependent wave-packet method based on a set of accurate diabatic potential energy surfaces.Oscillatory structures in the total reaction probability indicate the presence of the short-lived intermediate complex,attributed to a shallow poten-tial well and exothermicity.Ro-vibrational state-resolved integral cross sections reveal the inverted population distributions of the product.The HF product favors an angular distribution in the forward hemisphere of 30°-60° within the collision energy range from the threshold to 0.50 eV,which is related to the nonlinear approach of the H atom to the NaF molecule.Quantum generalized deflection functions show that the low-J partial waves con-tribute primarily to the backward scattering,while the high-J partial waves govern the forward scattering.The correlation between the partial wave J and the scattering angle & proves that the reaction follows a predominant direct reaction mechanism.
维普
万方数据