Stereodynamics of the Ca+HCl→CaCl+H reaction imposed by the reagent
rotational-excited states
Abstract
The influences of the initial states of HCl on the stereodynamics
properties of the Ca+HCl reaction are investigated by utilizing the
method based on the quasi-classical trajectory (QCT) theory and the
analytical potential energy surface (APES). The orientation and
alignment behaviors for the rotational angular momentum of the product,
along with the generalized differential cross-section (PDDCS) dependent
polarization, are employed to explore the stereodynamics properties. The
initial rotational states of the HCl molecule impose a remarkable
affection on the vector correlation distributions, regardless of the
orientation, alignment, or PDDCS. The obvious forward or backward
scattering, as well as the weak sideway scattering phenomena, are found
for the different initial rotational states of the HCl molecule. The
initial higher rotational-excited state of j=3 results in more obvious
stereodynamics effects.