The effect of the rotational excitation of NO on the stereodynamics for the reaction C(3P) + NO (X2Π)→CN (X2∑+) +O (3P)

doi:10.1088/1674-1056/22/6/063402

Abstract The stereodynamic properties of the reaction C(³P) + NO (X²Π)→CN (X²∑⁺) +O (³P) in different rotational states of reactant NO are studied theoretically by using quasiclassical trajectory method on 2A00 and 2A0 potential energy surfaces (PESs) at a collision energy of 0.06 eV. The vector properties in different rotational states on the two surfaces are discussed in detail. The results indicate that the rotational excitation of NO has considerable influence on the stereodynamic property of reaction occurring on the two surfaces. At the same time, the calculated polarization-dependent differential cross sections (PDDCSs) in different initial rotational states manifest that products are strongly polarized at three scattering angles.

Keywords: quasiclassical trajectory vector correlation rotational excitation

Received: 06 October 2012
Revised: 10 December 2012
Accepted manuscript online:

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

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 41075027).

Corresponding Authors: Ma Jian-Jun
E-mail: mjjdlut@163.com

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Ma Jian-Jun (马建军), Zou Yong (邹勇), Liu Hou-Tong (刘厚通) The effect of the rotational excitation of NO on the stereodynamics for the reaction C(³P) + NO (X²Π)→CN (X²∑⁺) +O (³P) 2013 Chin. Phys. B 22 063402

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The effect of the rotational excitation of NO on the stereodynamics for the reaction C(3P) + NO (X2Π)→CN (X2∑+) +O (3P)

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The effect of the rotational excitation of NO on the stereodynamics for the reaction C(³P) + NO (X²Π)→CN (X²∑⁺) +O (³P)