Abstract
The electronic structure and the conformational analysis of some Ni(PX3)4 (X = F, OCH3, Cl, CH3, H) complexes are investigated within the framework of the previously described extended CNDO/2 method in order to interpret their magneto-optical behaviour and to propose a suitable scheme for the electronic content of a metal-ligand (σ + π) dative bond. Chatt and Wilkinson's pattern, used up to now, is criticized and a new scheme is proposed which — taking accurately the role of electronegativity into account and abiding by Pauling's principle of electroneutrality — fits well the sets of available physico-chemical data and allows us to understand whyab initio bonds overlap populations as well as IR force constants are low for any metal-ligand (σ + π) dative bond.
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