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Novel oxorhenium complex of 2-(2-pyridyl)-4-methylthiazole-5-carboxylic acid – Synthesis, spectroscopic characterization, X-ray structure and DFT calculations

Novel oxorhenium complex of 2-(2-pyridyl)-4-methylthiazole-5-carboxylic acid – Synthesis, spectroscopic characterization, X-ray structure and DFT calc

Novel oxorhenium complex of 2-(2-pyridyl)-4-methylthiazole-5-carboxylic acid – Synthesis, spectroscopic characterization, X-ray structure and DFT calculations  
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The reaction of the complex [ReOBr3(AsPh3)2] with 2-(2-pyridyl)-4-methylthiazole-5-carboxylic acid (pmtca) has been examined and novel dinuclear rhenium oxocomplex – [{ReOBr2(pmtca)2}2(μ-O)]·Me2CO·2H2O with a linear OReOReO backbone – has been obtained. The complex has been studied by IR, UV–Vis spectroscopy and X-ray crystallography. The electronic structure of [{ReOBr2(pmtca)2}2(μ-O)] has been calculated with the density functional theory (DFT) method, and the electronic spectrum of the complex was investigated at the TDDFT level employing B3LYP functional in combination with LANL2DZ.
Journal: Journal of Molecular Structure - J MOL STRUCT , vol. 994, no. 1, pp. 256-262, 2011
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