Influence of rotational excitation and collision energy on the stereo dynamics of the reaction: N(4S)+H2 (v = 0, j = 0, 2, 5, 10)→NH(X3Σ-)+H

doi:10.1088/1674-1056/20/12/123402

中国物理B ›› 2011, Vol. 20 ›› Issue (12): 123402-123402.doi: 10.1088/1674-1056/20/12/123402

Influence of rotational excitation and collision energy on the stereo dynamics of the reaction: N(⁴S)+H₂ (v = 0, j = 0, 2, 5, 10)→NH(X³Σ^-)+H

于永江, 徐强, 徐秀玮

School of Physics, Ludong University, Yantai 264025, China

收稿日期:2011-05-29 修回日期:2011-06-26 出版日期:2011-12-15 发布日期:2011-12-15
基金资助:
¤Project supported by the Natural Science Foundation of Shandong Province of China (Grant No. Z2008A02).

Influence of rotational excitation and collision energy on the stereo dynamics of the reaction: N(⁴S)+H₂ (v = 0, j = 0, 2, 5, 10)→NH(X³$\Sigma$^-)+H

Yu Yong-Jiang(于永江)^†, Xu Qiang(徐强), and Xu Xiu-Wei(徐秀玮)

School of Physics, Ludong University, Yantai 264025, China

Received:2011-05-29 Revised:2011-06-26 Online:2011-12-15 Published:2011-12-15
Supported by:
¤Project supported by the Natural Science Foundation of Shandong Province of China (Grant No. Z2008A02).

摘要/Abstract

摘要： The N+H₂ reaction has attracted a great deal of attention from both the experimental and the theoretical community, and most of the attention has been paid to the first excited state N(²D) atoms in collisions with hydrogen molecules and the scalar properties of the reaction. In this paper, we study the stereo dynamical properties and calculate the reaction cross sections of the N(⁴S) + H₂ (v=0, j=0, 2, 5, 10) → NH(X³Σ^-) + H using the quasi-classical trajectory (QCT) method on an accurate NH₂ potential energy surface (PES) reported by Poveda and Varandas [Poveda L A and Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 2867], in a collision energy range of 25 kcal·mol^-1-140 kcal·mol^-1. Results indicate that the reactant rotational excitation and initial collision energy both have a considerable influence on the distributions of the k-j′ correlation, the k-k′-j′ correlation and k-k′ correlation. The differential cross section is found to be sensitive to collision energy.

关键词: quasi-classical trajectory method, vector correlation, differential cross section

Abstract: The N+H₂ reaction has attracted a great deal of attention from both the experimental and the theoretical community, and most of the attention has been paid to the first excited state N(²D) atoms in collisions with hydrogen molecules and the scalar properties of the reaction. In this paper, we study the stereo dynamical properties and calculate the reaction cross sections of the N(⁴S) + H₂ (v=0, j=0, 2, 5, 10) → NH(X³$\Sigma$^-) + H using the quasi-classical trajectory (QCT) method on an accurate NH₂ potential energy surface (PES) reported by Poveda and Varandas [Poveda L A and Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 2867], in a collision energy range of 25 kcal·mol^-1-140 kcal·mol^-1. Results indicate that the reactant rotational excitation and initial collision energy both have a considerable influence on the distributions of the k-j′ correlation, the k-k′-j′ correlation and k-k′ correlation. The differential cross section is found to be sensitive to collision energy.

Key words: quasi-classical trajectory method, vector correlation, differential cross section

中图分类号: (Chemical reactions)

34.50.Lf

82.20.Kh (Potential energy surfaces for chemical reactions)

于永江, 徐强, 徐秀玮. Influence of rotational excitation and collision energy on the stereo dynamics of the reaction: N(⁴S)+H₂ (v = 0, j = 0, 2, 5, 10)→NH(X³Σ^-)+H[J]. 中国物理B, 2011, 20(12): 123402-123402.

Yu Yong-Jiang(于永江), Xu Qiang(徐强), and Xu Xiu-Wei(徐秀玮) . Influence of rotational excitation and collision energy on the stereo dynamics of the reaction: N(⁴S)+H₂ (v = 0, j = 0, 2, 5, 10)→NH(X³$\Sigma$^-)+H[J]. Chin. Phys. B, 2011, 20(12): 123402-123402.

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Influence of rotational excitation and collision energy on the stereo dynamics of the reaction: N(⁴S)+H₂ (v = 0, j = 0, 2, 5, 10)→NH(X³Σ^-)+H

Influence of rotational excitation and collision energy on the stereo dynamics of the reaction: N(⁴S)+H₂ (v = 0, j = 0, 2, 5, 10)→NH(X³$\Sigma$^-)+H

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