Synthesis,characterization and molecular structure of Re(III) complexes containing 2-benzoylpyridine |
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| Authors: | B. Machura J. Mroziński J. Kusz |
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| Affiliation: | 1. Department of Crystallography, Institute of Chemistry, University of Silesia, 9th Szkolna St., 40-006 Katowice, Poland;2. Faculty of Chemistry, Wroclaw University, F. Joliot-Curie 14 St., 50-383 Wroc?aw, Poland;3. Institute of Physics, University of Silesia, 4th Uniwersytecka St., 40-006 Katowice, Poland |
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| Abstract: | The paper presents a combined experimental and computational study of Re(III) complexes containing 2-benzoylpyridine (bopy). Two novel complexes [ReX3(bopy)(PPh3)] (X = Cl, Br) have been obtained in the reactions of [ReX3(MeCN)(PPh3)2] with 2-benzoylpyridine in dichloromethane and have been studied by IR, UV–Vis spectroscopy and X-ray crystallography. The electronic structure of [ReCl3(bopy)(PPh3)] has been calculated with the density functional theory (DFT) method. The spin-allowed electronic transitions of [ReCl3(bopy)(PPh3)] have been calculated with the time-dependent DFT method and the UV–Vis spectrum has been discussed on this basis. |
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