The collision energy effect on the stereodynamics of the Ca + HCl→CaCl +H reaction

doi:10.1088/1674-1056/22/4/043101

Abstract The stereodynamics of the reaction of Ca+HCl is calculated at three different collision energies based on the potential energy surface [Verbockhaven G et al. 2005 J. Chem. Phys. 122 204307] by using the quasi-classical trajectory theory. The polarization-dependent differential cross sections (PDDCSs) (2π/σ)(dσ ₀₀/dω _t), (2π/σ)(dσ ₂₀/dω _t), (2π/σ)(dσ ₂₂₊/dω _t), (2π/σ)(dσ _21-/dω _t) and the distributions of P(θ_r), P(φ_r), and P(θ_r ,φ_r) are calculated. The results indicate that the rotational polarization of product CaCl presents different characteristics for the different collision energies and the effects of collision energy on the vector potential, including the alignment, orientation, and PDDCSs, are not obvious.

Keywords: stereodynamics quasi-classical trajectory vector correlation collision energies effect

Received: 13 July 2012
Revised: 07 September 2012
Accepted manuscript online:

PACS:	31.15.ap	(Polarizabilities and other atomic and molecular properties)
	34.50.Lf	(Chemical reactions)
	31.15.xv	(Molecular dynamics and other numerical methods)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11174117, 10974078, 11274205, 11274206, 11147026, and 31200545).

Corresponding Authors: Yang Chuan-Lu
E-mail: scuycl@gmail.com

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Wang Li-Zhi (王立志), Yang Chuan-Lu (杨传路), Liang Jing-Juan (梁景娟), Duan Li-Li (段莉莉), Zhang Qing-Gang (张庆刚) The collision energy effect on the stereodynamics of the Ca + HCl→CaCl +H reaction 2013 Chin. Phys. B 22 043101

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The collision energy effect on the stereodynamics of the Ca + HCl→CaCl +H reaction

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