Quasi-classical trajectory approach to the O(1D)+HBr→OH+Br reaction stereo-dynamics on X1A′ potential energy surface

doi:10.1088/1674-1056/20/12/123401

Abstract The vector properties of reaction O(¹D)+HBr→ OH+Br on the potential energy surface (PES) of X¹A′ ground singlet state are studied by using the quasi-classical trajectory (QCT) theory. The polarization-dependent differential cross sections (PDDCSs), the average rotational alignment factor 2(j′· k)>, as well as the distributions reflecting vector correlations are also computed. The analysis of the results shows that the alignment and the orientation distribution of the rotation angular momentum vector of product molecule OH is influenced by both the effect of heavy-light-heavy (HLH) type mass combination and the deep well of PES.

Keywords: product polarization O+HBr reaction quasi-classical trajectory vector correlation

Received: 25 March 2011
Revised: 04 May 2011
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.))

Fund: ¤Project supported by the National Natural Science Foundation of China (Grant No. 11074151), the National Basic Research Program of China (Grant No. 2011CB808105), and the Open Fund of the State Key Laboratory of High Field Laser Physics (Shanghai Institute of Optics and Fine Mechanics).

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Li Hong(李红), Zheng Bin(郑斌), Yin Ji-Qing(尹吉庆), and Meng Qing-Tian(孟庆田) Quasi-classical trajectory approach to the O(¹D)+HBr→OH+Br reaction stereo-dynamics on X¹A′ potential energy surface 2011 Chin. Phys. B 20 123401

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Quasi-classical trajectory approach to the O(1D)+HBr→OH+Br reaction stereo-dynamics on X1A′ potential energy surface

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Quasi-classical trajectory approach to the O(¹D)+HBr→OH+Br reaction stereo-dynamics on X¹A′ potential energy surface