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Electronic structure of a ruthenium dimer

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

Abstract

The electronic structure of a ruthenium dimer is calculated by SW-Xα. The configuration lσg2πu 4δg 4δu 42σg2, corresponding to a quadruple bond and an equilibrium distance of 1.94 A are found. Ionization potentials and electronic transition energies for bonding molecular orbitals are calculated. Changes in the chemical bonding in the series Mo2-Tc2-Ru2 are examined.

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Authors and Affiliations

  1. N. S. Kurnakov Institute of General and Inorganic Chemistry, Academy of Sciences of the USSR, Moscow

    V. D. Lutatskaya, A. P. Klyagina, A. A. Levin & G. L. Gutsev

Authors
  1. V. D. Lutatskaya
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  2. A. P. Klyagina
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  3. A. A. Levin
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  4. G. L. Gutsev
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Additional information

Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 12, pp. 2667–2669, December, 1989.

The authors thank A. N. Ivanova and V. K. Gryaznov for supplying programs for calculating the Hartree-Fock atomic functions.

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Lutatskaya, V.D., Klyagina, A.P., Levin, A.A. et al. Electronic structure of a ruthenium dimer. Russ Chem Bull 38, 2441–2443 (1989). https://doi.org/10.1007/BF00962419

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  • DOI: https://doi.org/10.1007/BF00962419

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