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Abstract:
A recently developed extension of the CNDO-method is used to study the electronic structure of a number of binuclear transition metal carbonyls and carboxylates with fourfold or quasi-fourfold symmetry. The results are compared to those available from nonempirical calculations. Special attention is paid to the nature of the metal-metal bond. Connections with qualitative MO-considerations allow a fairly general discussion of metal-metal bonding in binuclear transition metal complexes with basic fourfold symmetry. A few, up to now unknown, but possibly existing, complexes are considered.
