Cuprophilicity, a still elusive concept:: a theoretical analysis of the ligand-unsupported CuI-CuI interaction in two recently reported complexes

Density functional theory (DFT) calculations explain the short ligand-unsupported (CuCuI)-Cu-I contact recently reported for the [CuL](+)[CuCl2](-) complex [L = 1,1'-bis(2-pyridyl)octamethylferrocene] by a strong electrostatic attraction (-64 kcal mol(-1)) between the two moieties and rule out the initially suggested metallophilic interaction, but cuprophilicity might account for the dimerization occurring in a family of trimetallic complexes.