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  • 1
    Electronic Resource
    Electronic Resource
    The electronic structure of FeO 4 2− , RuO4, RuO 4 − , RuO 4 2− and OsO4 by the HFS-DVM method (1974)
    Springer
    Theoretical chemistry accounts 34 (1974), S. 49-59 
    Details
    ISSN: 1432-2234
    Keywords: Tetraoxo complexes ; Group VIII oxides and oxyanions ; Hartree-Fock-Slater discrete variational method (HFS-DVM)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The electronic structures of FeO 4 2− , RuO4, RuO 4 − , RuO 4 2− and OsO4 have been investigated using the Hartree-Fock-Slater Discrete Variational Method. The calculated ordering of the valence orbitals is 2t 2, 1e, 2a 1, 3t 2 andt 1 with thet 1 orbital as the highest occupied. The first five charge transfer bands are assigned as:t 1→2e(v 1), 3t 2→2e(v 2),t 1→4t 2(v 3), 3t 2→4t 2(v 4) and 2a 1→4t 2(v 5). It is suggested that ad-d transition should be observed at 1.5 eV in RuO 4 − and RuO 4 2− .
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00553231
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