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

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

Chin. Phys. B ›› 2013, Vol. 22 ›› Issue (4): 43101-043101.doi: 10.1088/1674-1056/22/4/043101

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

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

王立志^{a b}, 杨传路^b, 梁景娟^a, 段莉莉^a, 张庆刚^a

a College of Physics and Electronics, Shandong Normal University, Jinan 250014, China;
b School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, China

收稿日期:2012-07-13 修回日期:2012-09-07 出版日期:2013-03-01 发布日期:2013-03-01
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11174117, 10974078, 11274205, 11274206, 11147026, and 31200545).

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

Wang Li-Zhi (王立志)^{a b}, Yang Chuan-Lu (杨传路)^b, Liang Jing-Juan (梁景娟)^a, Duan Li-Li (段莉莉)^a, Zhang Qing-Gang (张庆刚)^a

a College of Physics and Electronics, Shandong Normal University, Jinan 250014, China;
b School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, China

Received:2012-07-13 Revised:2012-09-07 Online:2013-03-01 Published:2013-03-01
Contact: Yang Chuan-Lu E-mail:scuycl@gmail.com
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11174117, 10974078, 11274205, 11274206, 11147026, and 31200545).

摘要/Abstract

摘要： 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.

关键词: stereodynamics, quasi-classical trajectory, vector correlation, collision energies effect

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.

Key words: stereodynamics, quasi-classical trajectory, vector correlation, collision energies effect

中图分类号: (Polarizabilities and other atomic and molecular properties)

31.15.ap

34.50.Lf (Chemical reactions) 31.15.xv (Molecular dynamics and other numerical methods)

王立志, 杨传路, 梁景娟, 段莉莉, 张庆刚. The collision energy effect on the stereodynamics of the Ca + HCl→CaCl +H reaction[J]. Chin. Phys. B, 2013, 22(4): 43101-043101.

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[J]. Chin. Phys. B, 2013, 22(4): 43101-043101.

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

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

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