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Stereodynamics of the Ca+HCl→CaCl+H reaction imposed by the reagent rotational-excited states
  • Li-Zhi Wang,
  • Chuan-lu Yang
Li-Zhi Wang
Ludong University
Author Profile
Chuan-lu Yang
Ludong University
Author Profile

Peer review status:IN REVISION

04 Mar 2020Submitted to International Journal of Quantum Chemistry
04 Mar 2020Submission Checks Completed
04 Mar 2020Assigned to Editor
06 Mar 2020Reviewer(s) Assigned
14 Apr 2020Review(s) Completed, Editorial Evaluation Pending
15 Apr 2020Editorial Decision: Revise Major
03 Jun 20201st Revision Received
03 Jun 2020Submission Checks Completed
03 Jun 2020Assigned to Editor
24 Jun 2020Reviewer(s) Assigned
24 Jun 2020Review(s) Completed, Editorial Evaluation Pending
24 Jun 2020Editorial Decision: Revise Minor
28 Jun 20202nd Revision Received
29 Jun 2020Assigned to Editor
29 Jun 2020Submission Checks Completed

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.