Synthesis, Characterization, and DFT Studies of Four Dinuclear Copper(II) Complexes with Aromatic Carboxylate Ligands: Cu2(L)4·(CH3OH)2

Abstract

Four dinuclear copper(II) complexes, Cu2(L1 –4)4·(CH3OH)2(1–4) (HL1 = m‐anisic acid, HL2 = p‐anisic acid, HL3 = m‐toluic acid, HL4 = p‐toluic acid) were synthesized and characterized by IR spectroscopy, elemental analysis, and X‐ray powder and single crystal diffraction. All of the complexes are consisting of two Cu(II) cations, four L ligands and two methanol molecules, in which the L ligands are coordinated with copper cations by bidentate bridging coordination mode. There exists hydrogen bond interaction or CH…π interaction in the complexes, forming three‐dimensional network structures. Theoretical study of the complexes was carried out by density functional theory B3LYP method.