Abstract
In order to elucidate the properties of metalpyridine coordination bonding comparatively, spectroscopic measurements and quantum chemical calculations have been performed for dichloroplatinum(II) and mercury(II) complexes. The extent of XPS shifts of pyridine nitrogen induced coordination was larger for Pt(II) than for Hg(II) complexes, whereas the influences observed for the C-13 nmr shifts of the pyridine moiety were rather small. These tendencies were reasonably accounted for by the iterative extended Hückel MO method in terms of valence electron densities, atomic or bond populations, and MO correlation diagrams. The importance of the valence state ionization potentials of the metal orbitals is emphasized in characterizing the coordination bonding for transition and non-transition metals.
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