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

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

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.

Keywords: quasi-classical trajectory method vector correlation differential cross section

Received: 29 May 2011
Revised: 26 June 2011
Accepted manuscript online:

PACS:	34.50.Lf	(Chemical reactions)
	82.20.Kh	(Potential energy surfaces for chemical reactions)

Fund: ¤Project supported by the Natural Science Foundation of Shandong Province of China (Grant No. Z2008A02).

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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 2011 Chin. Phys. B 20 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(X3$\Sigma$-)+H

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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(X³$\Sigma$^-)+H