A new tetranuclear copper(I) complex based on allyl(5-phenyl-1,3,4-thiadiazol-2-yl)azanide ligand: Synthesis and structural characterization

By means of alternating current electrochemical technique a new tetranuclear crystalline copper(I) complex [Cu-4(1)(L-)(4)](L- - allyl(5-phenyl-1,3,4-thiadiazol-2-yl)azanide ion) has been obtained and characterized by X-ray single crystal diffraction (Sp. gr. I4(1)/a) and Raman spectroscopy. The metal center adopts linear arrangement, composed of one thiadiazole N atom from the one L- anion and one azanide N atom of the other L- ligand. A bridged Cu atoms stitch four L- ligands into the firstly observed tetranuclear copper(l) azanide complex with intramolecular Cu(I)center dot center dot center dot Cu(I) interactions at the distance of 2.7451(6) angstrom. Molecular structure and Raman spectrum of the compound have been computed using the DFT BBLYP methodology and the cc-pVDZ basis set. The results are compared with the experimental data obtained. Spectrum calculation followed by normalization to the most intensive peak allowed providing detailed vibrational band assignment. (C) 2015 Elsevier B.V. All rights reserved.