کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1403912 | 1501820 | 2011 | 7 صفحه PDF | دانلود رایگان |
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.
► A simple synthetic route to [{ReOBr2(pmtca)2}2(μ-O)] has been established.
► The complex was characterised by IR, UV-Vis spectroscopy and X-ray crystallography.
► The spectroscopic features of the dimer was investigated by DFT and TD-DFT.
Journal: Journal of Molecular Structure - Volume 994, Issues 1–3, 17 May 2011, Pages 256–262