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Tutorial review: Bohr circular orbit diagrams for some fluorine-containing molecules
Authors:Richard D Harcourt  Thomas M Klapötke
Institution:a School of Chemistry, The University of Melbourne, Vic. 3010, Australia
b Department of Chemistry, University of Munich, Butenandtstr. 5-13(Haus D), D-81377 Munich, Germany
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−.Aspects 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
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