Isotope effect on the stereodynamics for the collision reaction H+LiF(v = 0, j = 0)→ HF+Li

doi:10.1088/1674-1056/21/7/073401

Abstract Stereodynamics for the reaction H+LiF(v = 0, j = 0)!HF+Li and its isotopic variants on the ground-state (1^XXA′) potential energy surface (PES) are studied by employing the quasi-classical trajectory (QCT) method. At a collision energy of 1.0 eV, product rotational angular momentum distributions P(θ_r), P(?_r), and P(θ_r, ?_r), are calculated in the center-of-mass (CM) frame. The results demonstrate that the product rotational angular momentum j′ is not only aligned along the direction perpendicular to the reagent relative velocity vector k, but also oriented along the negative y axis. The four generalized polarization-dependent differential cross sections (PDDCSs) are also computed. The PDDCS00 distribution shows a preferential forward scattering for the product angular distribution in each of the three isotopic reactions, which indicates that the title collision reaction is a direct reaction mechanism. Isotope effect on the stereodynamics is revealed and discussed in detail.

Keywords: stereodynamics quasi-classical trajectory isotope effect polarization-dependent differential cross-section

Received: 20 November 2011
Revised: 04 February 2012
Accepted manuscript online:

PACS:	34.50.Lf	(Chemical reactions)
	82.20.Fd	(Collision theories; trajectory models)
	82.20.Hf	(Product distribution)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 21003062).

Corresponding Authors: Yue Xian-Fang
E-mail: xfyuejnu@gmail.com

Cite this article:

Yue Xian-Fang (岳现房 ) Isotope effect on the stereodynamics for the collision reaction H+LiF(v = 0, j = 0)→ HF+Li 2012 Chin. Phys. B 21 073401

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Isotope effect on the stereodynamics for the collision reaction H+LiF(v = 0, j = 0)→ HF+Li

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