Effects of collision energy on the stereodynamics of the reaction O + H2+ → OH + H+

Abstract

Quasi-classical trajectories calculations have been carried out to study the stereodynamics of the reaction O+H2+(v=0, j=0)→OH+H+ on the first excited-state potential energy surface (12A′) of Paniagua et al. (2014). The reaction probability for the total angular momentum J=0 and the integral cross section are presented at the collision energies of 0.1–1.2eV. Furthermore, the product rotational alignment factor 〈P2(j′·k)〉 has also been obtained. To show the collision-energy dependence on the chemical stereodynamics of the title reaction, the PDDCSs and the angular distributions of P(θr) and P(ϕr) are investigated. The results indicate that the product rotational angular momentum j′ is not only aligned, but also oriented along the positive y-axis. The stereodynamics of the reaction O+H2+→OH+H+ depend sensitively on the collision energy.