Experimental and quantum chemical computation of binuclear copper (II) complexes with azide ligands

In this work, binuclear copper(II) complex of [L(N3)Cu(μN,N-N3)2CuL(N3)], 1-2 (L1 = N,Ndimethyl,N'-benzyl-ethylenediamine, L2 = N,N-diethyl,N'-benzyl-ethylenediamine)) has beensynthesized and structurally characterized. The X-ray crystallography study of the complex 1reveals that the copper (II) center has a distorted octahedral environment [1]. Theexperimental studies on the compounds have been accompanied computationally by thedensity functional theory (DFT) calculations. We utilized DFT/TDDFT calculations to obtaintheoretical support for absorption spectra.