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Russian Chemical Bulletin

, Volume 53, Issue 8, pp 1661–1666 | Cite as

Structures of hexanuclear molybdenum chalcocyanide complexes: electronic absorption spectra and DFT calculation

  • S. G. Kozlova
  • S. P. Gabuda
  • K. A. Brylev
  • Yu. V. Mironov
  • V. E. Fedorov
Article

Abstract

Electronic absorption spectra of aqueous solutions of the clusters K6[Mo6Q8(CN)6] and K7[Mo6Q8(CN)6] (Q = S, Se) were studied. The electronic structures of the [Mo6Q8(CN)6]6− and [Mo6Q8(CN)6]7− cluster anions were calculated by the DFT method. The absorption spectra observed agree with the results of calculation in the framework of the electron-dipole transition model.

Key words

electronic structure octahedral molybdenum chalcocyanide clusters Jahn—Teller effect 

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Copyright information

© Springer Science+Business Media, Inc. 2004

Authors and Affiliations

  • S. G. Kozlova
    • 1
  • S. P. Gabuda
    • 1
  • K. A. Brylev
    • 1
  • Yu. V. Mironov
    • 1
  • V. E. Fedorov
    • 1
  1. 1.A. V. Nikolaev Institute of Inorganic ChemistrySiberian Branch of the Russian Academy of SciencesNovosibirskRussia Federation

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