6533b862fe1ef96bd12c63fb

RESEARCH PRODUCT

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

Evgeny GoreshnikYu. I. SlyvkaB. R. ArdanMarian Mys'kivGleb VeryasovDmitry Morozov

subject

Stereochemistrychemistry.chemical_elementthiadiazoleElectrochemistryDFTAnalytical ChemistryInorganic ChemistryMetalsymbols.namesakeraman spectroscopyMoleculeta116SpectroscopyBasis setLigandChemistryOrganic Chemistryac-electrochemical techniquetetranuclear complexCopperCrystallographyvisual_artIntramolecular forcevisual_art.visual_art_mediumsymbolsRaman spectroscopyCopper(I)

description

Abstract By means of alternating current electrochemical technique a new tetranuclear crystalline copper(I) complex [Cu I 4 ( 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. I 4 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(I) azanide complex with intramolecular Cu(I)⋯Cu(I) interactions at the distance of 2.7451(6) A. Molecular structure and Raman spectrum of the compound have been computed using the DFT B3LYP 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.

yearjournalcountryeditionlanguage
2015-04-01Journal of Molecular Structure
https://doi.org/10.1016/j.molstruc.2015.01.010