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Dynamics of gas-phase reactions of muonium

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Abstract

Applications of variational transition state theory with semiclassical adiabatic transmission coefficients to the reactions of muonium with H2, D2, F2, and Cl2 are reviewed. In addition new calculations are presented for the Mu+Cl2 and Br2 reactions. The comparison of calculated rate constants and kinetic isotope effects (KIE's) with experiment is used as a test of the validity of semiempirical potential energy surfaces. Furthermore the VTST-plus-tunneling calculations allow an analysis of the KIE's that identifies those features of the potential which control the isotope effects.

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Authors and Affiliations

  1. Chemical Dynamics Corporation, 9530 Pennsylvania Avenue, 20772, Upper Marlboro, MD, USA

    Bruce C. Garrett

  2. Department of Chemistry, University of Minnesota, 55455, Minneapolis, MN, USA

    Rozeanne Steckler & Donald G. Truhlar

Authors
  1. Bruce C. Garrett
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  2. Rozeanne Steckler
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  3. Donald G. Truhlar
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Garrett, B.C., Steckler, R. & Truhlar, D.G. Dynamics of gas-phase reactions of muonium. Hyperfine Interact 32, 779–794 (1986). https://doi.org/10.1007/BF02394985

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