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Effects of collision energy on stereodynamical information of the reaction F+HI→FI+H

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Abstract

The vector correlations between products and reactants for the reaction F+HI→FI+H are studied using quasi-classical trajectory (QCT) method. Employing a semiempirical LEPS potential energy surface constructed by Kornweitz and Persky, this work calculates the angular distributions of P(𝜃 r ), P(ϕ r ) and several PDDCSs in the center of mass frame. The effect of the collision energy on the product vector properties is also discussed.

The distribution of P(ϕ r ) for the reaction F+HI→FI+H at different collision energies show that the angular momentum j′ of the product FI are oriented along the direction of the negative –y axis.

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Acknowledgement

The author sincerely thanks Professor KeLi Han for providing the QCT Stereodynamics code. This work isby the National Natural Science Foundation of China (Grant 11205005).

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Authors and Affiliations

  1. Department of Applied Physics, Anhui University of Technology, Maanshan, 243032, China

    JIAN-JUN MA

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  1. JIAN-JUN MA
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Correspondence to JIAN-JUN MA.

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MA, JJ. Effects of collision energy on stereodynamical information of the reaction F+HI→FI+H. J Chem Sci 127, 1557–1561 (2015). https://doi.org/10.1007/s12039-015-0921-z

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  • DOI: https://doi.org/10.1007/s12039-015-0921-z

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