Preparation and characterization of a novel cuprous complex

Abstract

Cu4Cl4(2,2′-bpy)2 (1) (bpy = bipyridine) was obtained and characterized. It crystallizes in the triclinic system P(−1) space group. It is a discrete motif. Cu1 is bound by two nitrogen (N) atoms and two chloride (Cl−) ions, generating a tetrahedron. Cu2 is bound by two chloride ions to generate a line. A Cu4Cl4 moiety is generated by four chloride and four cuprous (Cu+) ions and connects to two 2,2′-bpy molecules to generate Cu4Cl4(2,2′-bpy)2. It has a blue photoluminescence emission, which can be attributed to ligand-to-ligand charge transfer and metal-to-ligand charge transfer. Time-dependent density functional theory calculations were conducted with the Gaussian03 program. The X-ray diffraction software is CrystalClear.