A combined experimental and computational investigation on Tetrakis-μ-acetato-bis(acetamido)dicopper(II) and its application as a single source precursor for copper oxide

The physico-chemical properties of the Tetrakis-μ-acetato-bis(acetamido)dicopper(II) [Cu(O2CCH3)2(CH3CONH2)]2 (1), have been thoroughly investigated via an integrated multi-technique experimental–computational approach. In the newly found orthorhombic compound, as revealed by low temperature single-crystal X-ray studies, the complex is present as centrosymmetrical dimeric unit, has a paddle-wheel conformation with four acetate ligands bridging two symmetry-related CuII ions. The distorted octahedral coordination environment around the CuII ion is completed by an oxygen atom from an acetamide ligand. The compound sublimates, without premature side decompositions, at 180 °C. The structural, electronic and thermal behavior of the neutral complex (1) has been investigated. The present study suggests application of [Cu(O2CCH3)2(CH3CONH2)]2 (1) as a precursor for copper-based materials by Chemical Vapor Deposition.