Quasi-classical trajectory investigation on the stereodynamics of Li+DF (v=1-6, j=0)→LiF+D reaction

In this paper, the stereodynamics of Li+DF→LiF+D reaction is investigated by the quasi-classical trajectory (QCT) method on the ²A' potential energy surface (PES) at a relatively low collision energy of 8.76 kcal/mol. The scalar properties of the title reaction such as reaction probability and cross section are studied with vibrational quantum number of v=1-6. The product angular distributions P(θr) and P(ør) are presented in the same vibrational level range. Moreover, two polarization-dependent generalized differential cross sections (PDDCSs), i.e., the PDDCS₀₀ and PDDCS₂₂₊ are calculated as well. These stereodynamical results demonstrate sensitive behaviors to the vibrational quantum numbers.