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Dissociative recombination of electrons and molecular ions

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Abstract

The existing techniques for the calculation of the dissociative recombination (DR) of electrons and molecular ions were compared. The advantages of the method of multichannel quantum defect (MQD), in which equations are formulated directly for the T-matrix of collisions and the unitarity of the scattering S-matrix is thus ensured, were demonstrated. The effect of molecular rotation and of the nonadiabatic electron-rotation coupling on the e− + H2 + →, H* + H reaction was investigated. A procedure was suggested based on the use of the adiabatic approximation (with respect to the nuclear rotation) in the near-threshold area while taking into account the contributions of the excited vibronic states of the Rydberg complex formed in an intermediate stage of the reaction. It is notable that the partial rate constants (and the corresponding cross-sections) arc very sensitive to the initial rotation excitation. However, the temperature-averaged rate constants under equilibrium conditions are only slightly affected by rotation.

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Authors and Affiliations

  1. N. N. Semenov Institute of Chemical Physics, Russian Academy of Sciences, 4 ul. Kosygina, 117977, Moscow, Russian Federation

    G. V. Golubkov, M. G. Golubkov, S. V. Drygin & G. K. Ivanov

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  1. G. V. Golubkov
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  2. M. G. Golubkov
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  3. S. V. Drygin
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  4. G. K. Ivanov
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1336–1348, June, 1996.

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Golubkov, G.V., Golubkov, M.G., Drygin, S.V. et al. Dissociative recombination of electrons and molecular ions. Russ Chem Bull 45, 1265–1278 (1996). https://doi.org/10.1007/BF01434195

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  • DOI: https://doi.org/10.1007/BF01434195

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