Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of rhenium(III) complex with bis(3,5-dimethylpyrazol-1-yl)methane |
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| Authors: | Barbara Machura Robert Penczek Joachim Kusz |
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| Institution: | (1) Department of Crystallography, Institute of Chemistry, University of Silesia, 9th Szkolna St., 40-006 Katowice, Poland;(2) Department of Inorganic and Coordination Chemistry, Institute of Chemistry, University of Silesia, 9th Szkolna St., 40-006 Katowice, Poland;(3) Institute of Physics, University of Silesia, 4th Uniwersytecka St., 40-006 Katowice, Poland |
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| Abstract: | ReCl3(MeCN)(PPh3)2] reacts with bis(3,5-dimethypyrazol-1-yl)methane (bdmpzm) in acetone to give ReCl3(bdmpzm)(PPh3)]. The compound has been studied by IR, UV–Vis spectroscopy and X-ray crystallography. The molecular orbital diagram of ReCl3(bdmpzm)(PPh3)] has been calculated with the density functional theory (DFT) method. |
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| Keywords: | Rhenium(III) Bis(3 5dimethylpyrazol-1-yl)methane X-ray structure DFT calculations |
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