Synthesis, crystal structure, and electronic structure of a copper(II) chloride complex with 9(E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4- dihydroisoquinolin-1(2H)-ylidene]hydrazone [Cu2(L-H) 2Cl2]

The [Cu2(L-H)2Cl2] compound (I) has been obtained by the reaction of 9(E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4- dihydroisoquinolin-1(2H)-ylidene]hydrazone with copper(II) chloride. The crystal and molecular structure of I has been determined by X-ray crystallography. The L-H anion acts as a tridentate chelating ligand and is coordinated to the Cu atom through the O(1) atoms of the phenanthrenequinone moiety, the N(1) atom of the dihydroisoquinoline moiety, and the N(3) atom of the azo group to form two five-membered chelate rings. Complex I is a dimer with a double chloride bridge. The coordination polyhedron of the Cu atom is completed to a distorted pyramid by two chlorine atoms. The molecular and electronic structures of the L molecule and the model [Cu(L-H)Cl] complex have been determined by the density functional theory method. Spectroscopic characteristics of I have been determined. © 2014 Pleiades Publishing, Ltd.