Quantum stereodynamics studies for the Li + HF (v=0, j=1) → H plus LiF reaction

In reactive collisions, the colliding direction has an important effect on the reaction dynamics, and the study of reaction stereodynamics which controls the initial orientation or alignment of reactants is of great significance for controlling chemical reactions. In this work, the influence of different initial reactant orientations on the Li + HF (v0 = 0, j0 = 1) -> LiF + H reaction dynamics are studied by using the quantum wave packet method. We found that the initial orientation of HF molecule has a great influence on the reactivity and scattering direction of product, but has little influence on the product rotational-vibrational state distribution.