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CHEMISTRY AND CHEMICAL ENGINEERING

Abstract

This research work examines the synthesis, structure and properties of ammonium vanadate complex compounds based on 1,3,4-oxadiazole derivatives. Competing donor centers in coordination, electronic and geometric structures of the ligand molecule were studied based on quantum chemical calculations using the Gaussian09 LanL2DZ software package. Among the ligands, 2-carboxymethylthio-5-phenyl-1,3,4-oxadiazole ligand has been shown to have more competitive donor atoms than other ligands.

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