A dissymmetric, singly phenoxido-bridged Cu^II dinuclear coordination compound: Synthesis, characterisation, magnetic and computational study

A singly phenoxido-bridged dinuclear CuII complex, [Cu₂(L) ₂(SCN)₂(H₂O)], has been obtained from a Schiff-base ligand (2-[{[2-(dimethylamino)ethyl]imino}methyl]-6-methoxyphenol), generated by condensation of o-vanillin with N,N-dimethylethane-1,2-diamine. The Cu(II) complex has been fully characterised by analytical, spectroscopic, magnetic susceptibility and EPR measurements and DFT calculations, as well as single-crystal X-ray diffraction analysis. It consists of two geometrically distinct square-pyramidal and octahedral copper(II) centres, exhibiting N ₂O₃ and N₄O₂ donor sets. In the dimeric unit, the copper atoms are connected by a μ₂-phenolato oxygen atom, belonging to one bridging Schiff-base ligand. Variable-temperature magnetic susceptibility measurements indicate strong antiferromagnetic exchange interactions between the Cu(II) centres, with a 2J value of -89(1) cm _-1.