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

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. [ABSTRACT FROM AUTHOR]