Effect of the Isotope Substitution on the Stereodynamics for $O+H(D)Br \rightarrow OH(D)+Br$ Reactions
Year: 2012
Author: Hong Li, Bin Zheng, Ji-Qing Yin, Qing-Tian Meng
Journal of Atomic and Molecular Sciences, Vol. 3 (2012), Iss. 2 : pp. 114–121
Abstract
The influence of the isotope substitution on the dynamics of the title reactions is investigated using the quasi-classical trajectory method based on the potential energy surface for the $X^1A'$ ground singlet state of HOBr system. Apparent differences on the stereo-dynamic properties are discovered between the title reactions. These discrepancies are mainly due to the unequal reduced masses of the reactants and different zero-point energies of the transition state, which affect the vector properties of the title reactions.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.052411.070811a
Journal of Atomic and Molecular Sciences, Vol. 3 (2012), Iss. 2 : pp. 114–121
Published online: 2012-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 8
Keywords: isotope substitution vector correlation quasi-classical trajectory.
Author Details
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