1,3-Bis(N-Methylbenzimidazol-2′-yl)-2-Phenylpropanedichloridocopper(II)

The orange complex of copper(II) chloride with the bidentate ligand 1,3-bis(N-methylbenzimidazol-2'-yl)-2-phenylpropane crystallises in the orthorhombic space group P2(1)2(1)2(1). The CuN2Cl2 coordination core is of somewhat flattened tetrahedral geometry, with the ligand forming an eight-membered chelate ring. The complex's solid state rhombic EPR spectrum becomes more tetragonalised in solution. The g(parallel to) values for such CuN2Cl2 centres increase with increasing coordination core twist angle. The absorption spectrum displays visible-region bands which DFT calculations suggest are combinations of d-d, LMCT and MLCT components.