Abstract
The dinuclear transition-metal complexes of the type [M2(μ-C⋮CR)2L4], in which each metal atom is in a square-planar environment, appear in different molecular conformations depending on (a) the coordination mode of the alkynyl ligands and (b) the angle between the coordination planes around the two metal atoms. An ab initio theoretical study on representative complexes for all isomers, complemented with a structural database analysis, provides a rationale for the experimentally observed structures.
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