• Title of article

    Tutorial review: Bohr circular orbit diagrams for some fluorine-containing molecules

  • Author/Authors

    Harcourt، نويسنده , , Richard D. and Klapِtke، نويسنده , , Thomas M.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2006
  • Pages
    8
  • From page
    712
  • To page
    719
  • Abstract
    Examples are provided of Bohr circular orbit diagrams to represent the electronic structures of some fluorine-containing molecules. The orbit diagrams are constructed from a 2n × n factorisation of the atomic shell-structure formula 2n2, with n = 1, 2, 3, … Particular attention is given to orbit diagrams and the associated valence bond structures for the hypercoordinate molecules and ions PF5 and NF5, F3− and XeF2, IF5 and XeF5+, XeF5−, IF8−, XeF82−, ReF8− and TaF83−, ZrF84−, ZrF73−, Re2F82−, and high-spin CoF63−. s of the electronic structures of D3h-symmetry PF5 and NF5 are contrasted via the use of orbital valence bond considerations, and the results of STO-3G valence bond calculations are reported for these species.
  • Keywords
    Bohr orbit diagrams , Hypercoordinate fluorine compounds
  • Journal title
    Journal of Fluorine Chemistry
  • Serial Year
    2006
  • Journal title
    Journal of Fluorine Chemistry
  • Record number

    1609243