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Electronic structure of the anions of hydrides of 3d metals

  • Physical Chemistry
  • Published:
Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    The results of calculations of the first ionization potentials of the anions of the dihydrides of 3d metals by the discrete variation Xα method are in good agreement with the available experimental values.

  2. 2.

    The electron affinities of the MH2 molecules are close to the first ionization potentials of the corresponding anions on account of the small values of the adiabatic corrections, and vary noniaonotonically on passing along the series of 3d metals.

  3. 3.

    The electron affinity of the dihydrides of the 3d metals always exceeds the electron affinity of the central atom, but varies in parallel with the latter quantity along the series.

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Authors and Affiliations

  1. Institute of Chemical Physics, Academy of Sciences of the USSR, Chernogolovka Branch, USSR

    G. D. Gutsev

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  1. G. D. Gutsev
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 1, pp. 81–87, January, 1989.

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Gutsev, G.D. Electronic structure of the anions of hydrides of 3d metals. Russ Chem Bull 38, 70–75 (1989). https://doi.org/10.1007/BF00953703

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  • DOI: https://doi.org/10.1007/BF00953703

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