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Novel tricarbonyl rhenium complexes of 5,8-quinolinedione derivatives - Synthesis, spectroscopic characterisation, X-ray structure and DFT calculations |
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| Authors: | B. Machura A. ?witlicka D. Tabak J. Polański |
| Affiliation: | a Department of Crystallography, Institute of Chemistry, University of Silesia, 9th Szkolna Street, 40-006 Katowice, Poland b Department of Organic Chemistry, Institute of Chemistry, University of Silesia, 9th Szkolna Street, 40-006 Katowice, Poland c Department of X-ray Crystallography and Crystal Chemistry, Institute of General and Ecological Chemistry, Technical University of Lodz, 116 ?eromski Street, 90-924 ?ód?, Poland |
| Abstract: | The molecular structure of 7-acetamido-2-methyl-quinoline-5,8-dione has been determined and the reactivity of 7-acetamido-2-methyl-quinoline-5,8-dione (1) and 6-acetamido-2-methyl-quinoline-5,8-dione (2) towards Re(CO)5Cl has been examined. Two novel tricarbonyl rhenium complexes, fac-[Re(CO)3(7-acetamido-2-methyl-quinoline-5,8-dione)Cl]·CHCl3 (3·CHCl3) and fac-[Re(CO)3(6-acetamido-2-methyl-quinoline-5,8-dione)Cl]2·CHCl3 (4·CHCl3), have been synthesized and characterized spectroscopically and structurally. The electronic spectrum of 3 was investigated at the TDDFT level employing B3LYP functional in combination with LANL2DZ. |
| Keywords: | Rhenium(I) carbonyl complexes 5,8-Quinolinedione derivatives X-ray structure UV-vis spectra DFT calculations |
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