Stereodynamics of the Ca + HCl → CaCl + H molecular reaction imposed by the rotational‐excited states of HCl

Abstract

AbstractThe effects of the initial rotational‐excited states of the HCl molecule on the stereodynamics properties of the Ca + HCl molecular reaction are investigated using the quasiclassical trajectory theory and the analytical potential energy surface. The orientation and alignment behaviors for the rotational angular momentum of the product, along with the generalized differential cross section (PDDCS)‐dependent polarization, are calculated to explore the stereodynamics properties. The initial rotational‐excited states of the HCl molecule impose a remarkable effect on the vector correlation distributions, regardless of the orientation, alignment, or PDDCS. The forward, backward, and weak sideway scatterings are found in the Ca + HCl → CaCl + H molecular reaction. The results demonstrate that the initial rotational‐excited state of j = 3 results in more obvious stereodynamics effects.