Intrinsic product polarization and branch ratio in the S(1D, 3P)+HD reaction on three electronic states

Abstract

The intrinsic product polarization and intramolecular isotope effect of the S(1D, 3P)+HD reaction have been investigated on both the lowest singlet state (1A′) and the triplet state (3A′ and 3A″) potential energy surfaces by using quasi-classical trajectory and quantum mechanical methods. The calculations indicate that intramolecular isotope effects are different on the three electronic states. The stereodynamics study shows that the P(θr) distributions, P(ϕr) distributions, and polarization-dependent differential cross sections (PDDCSs) (00) are sensitive to mass factor and the product angular momentum vectors are not only aligned but also oriented.