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Cross sections for vibrational inhibition at low collision energies for the reaction H + Li2(X1Σ +g ) → Li + LiH (X1Σ+)

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Abstract

A time-dependent wave packet dynamics study of the H + Li2 reaction has been performed on the novel HLi2(X2A′) potential energy surface [Y.Z. Song, Y.Q. Li, S.B. Gao, Q.T. Meng, Eur. Phys. J. D 68, 1 (2014)]. The v-dependent reaction probabilities and integral cross sections are presented as a function of collision energies. From the v-dependent behaviour of integral cross sections, it can be seen that the vibrational excitation of the reactant Li2 hinders the reactivity at low collision energies. Furthermore, the comparison of j-dependent reaction probabilities indicates that Li2 rotation also hinders the reaction.

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Authors and Affiliations

  1. College of Physics and Electronics, Shandong Normal University, Jinan, 250014, P.R. China

    Shoubao Gao, Jing Zhang, Yuzhi Song & Qing-Tian Meng

Authors
  1. Shoubao Gao
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  2. Jing Zhang
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  3. Yuzhi Song
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  4. Qing-Tian Meng
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Correspondence to Qing-Tian Meng.

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Gao, S., Zhang, J., Song, Y. et al. Cross sections for vibrational inhibition at low collision energies for the reaction H + Li2(X1Σ +g ) → Li + LiH (X1Σ+). Eur. Phys. J. D 69, 111 (2015). https://doi.org/10.1140/epjd/e2015-50772-9

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  • DOI: https://doi.org/10.1140/epjd/e2015-50772-9

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