Product rotational angular momentum polarization in the N + NH (v = 0, j = 0, 3, 6, 9)→N2 + H reaction

Abstract

Based on the ground state HN2(12A′) potential energy surface (PES), the effects of collision energy and the rotational excitation of the reagent on the product alignment and the orientation for the title reaction are investigated by using quasi-classical trajectory (QCT) method. The distribution of polar angle P(θr) at collision energies 2–40kcal/mol with v=0 and j=0 level has been presented. The three angle distribution functions P(θr), P(ϕr), P(θr,ϕr) and four generalized polarization dependent differential cross sections (PDDCSs) at collision energy of 10kcal/mol with different rotational excitation are plotted. The results show that the product rotational angular momentum j′ is not only aligned, but also oriented along the direction perpendicular to the scattering plane. It has been found that the three angle distributions are sensitive to initially rotational excitation. The HHL mass combination and the property of the PES are used to explain the found results.