Effect of the reagent vibration on stereodynamics of the reaction O(1D)+HF → F+OH

Abstract

This paper studies the influence of the reagent vibration on the reaction O(1D)+HF→HO+F by using a quasi-classical trajectory method on the new ab initio 1A′ ground singlet potential energy surface (Gómez-Carrasco et al 2007 Chem. Phys. Lett. 435 188–193). The product angular distributions which reflect the vector correlation are calculated. Four polarization-dependent differential cross sections (PDDCSs) which are sensitive to many photoinitiated bimolecular reaction experiments are presented in the center of the mass frame, respectively. The differential cross section indicates that the OH product mainly tends to the forward scattering, and other PDDCSs are also influenced by the vibration levels of HF.