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Isotope effect of the stereodynamics in the reactions F+HCl→HF+Cl and F+DCl→DF+Cl

  • Article
  • Atomic & Molecular Physics
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Chinese Science Bulletin

Abstract

Using a new ground-state ab initio potential energy surface reported by Deskevich et al., the product polarizations in the reactions F+HCl→HF+Cl and F+DCl→DF+Cl were studied by employing the quasi-classical trajectory method. At a collision energy of 10 kcal/mol, the four generalized polarization-dependent differential cross-sections (2π/σ)(dσ00/dω t ), (2π/σ)(dσ20/dω t ), (2π/σ)(dσ22+/dω t ) and (2π/σ)(dσ21−/dω t ) were calculated in the center-of-mass frame. The distribution of the angle between k and j′, P(θ r ), the distribution of the dihedral angle denoting the k-k′-j′ correlation, P(φ r ), and the angular distribution of the product rotational vectors in the form of polar plots P(θ r , φ r ) were also calculated. The evident influence of isotope substitution on the product polarization is revealed. This effect may result from the different mass factors of the two reactions.

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Authors and Affiliations

  1. Department of Physics, Dalian Maritime University, Dalian, 116026, China

    ShuHui Yin, Lei Li, XiangPing Li & YingHui Zhang

  2. Environmental Science and Engineering College, Dalian Maritime University, Dalian, 116026, China

    MingXing Guo

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  1. ShuHui Yin
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Yin, S., Guo, M., Li, L. et al. Isotope effect of the stereodynamics in the reactions F+HCl→HF+Cl and F+DCl→DF+Cl. Chin. Sci. Bull. 55, 3868–3874 (2010). https://doi.org/10.1007/s11434-010-4201-5

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  • DOI: https://doi.org/10.1007/s11434-010-4201-5

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