Stereodynamics study of the H’(2S)+NH(X3∑-→N(4S) +H2 reaction

doi:10.1088/1674-1056/23/2/023401

Abstract The stereodynamics and reaction mechanism of the H’(²S)+NH(X³∑^-→N(⁴S) +H₂ reaction are thoroughly studied at collision energies in the 0.1 eV–1.0 eV range using the quasiclassical trajectory (QCT) on the ground 4A" potential energy surface (PES). The distributions of vector correlations between products and reagents P(θ_r), i>P(φ_r) and P(θ_r, φ_r) are presented and discussed. The results indicate that product rotational angular momentum j’ is not only aligned, but also oriented along the direction perpendicular to the scattering plane; further, the product H₂ presents different rotational polarization behaviors for different collision energies. Furthermore, four polarization-dependent differential cross sections (PDDCSs) of the product H₂ are also calculated at different collision energies. The reaction mechanism is analyzed based on the stereodynamics properties. It is found that the abstraction mechanism is appropriate for the title reaction.

Keywords: quasiclassical trajectory H’+NH reaction stereodynamics mechanism

Received: 06 April 2013
Revised: 08 May 2013
Accepted manuscript online:

PACS:	34.10.+x	(General theories and models of atomic and molecular collisions and interactions (including statistical theories, transition state, stochastic and trajectory models, etc.))
	34.50.-s	(Scattering of atoms and molecules)
	34.50.Lf	(Chemical reactions)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11204392 and 11047125).

Corresponding Authors: Wei Qiang
E-mail: qiangwei@cqut.edu.cn

About author: 34.10.+x; 34.50.-s; 34.50.lf

Cite this article:

Wei Qiang (魏强) Stereodynamics study of the H’(²S)+NH(X³∑^-→N(⁴S) +H₂ reaction 2014 Chin. Phys. B 23 023401

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Stereodynamics study of the H’(2S)+NH(X3∑-→N(4S) +H2 reaction

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Stereodynamics study of the H’(²S)+NH(X³∑^-→N(⁴S) +H₂ reaction