Novel tricarbonyl rhenium complexes of 5,8-quinolinedione derivatives e Synthesis, spectroscopic characterisation, X-ray structure and DFT calculations

作者：Machura B^*; Switlicka A; Wolff M; Tabak D; Musiol R; Polanski J; Kruszynski R

来源：Journal of Organometallic Chemistry, 2011, 696(3): 731-738.

DOI：10.1016/j.jorganchem.2010.09.058

• Rhenium(I) carbonyl complexes
• 5,8-Quinolinedione derivatives
• X-ray structure
• UV-vis spectra
• DFT calculations

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)(5)Cl has been examined. Two novel tricarbonyl rhenium complexes, fac-[Re(CO)(3)(7-acetamido-2-methyl-quinoline-5,8-dione) Cl]center dot CHCl(3) (3 center dot CHCl(3)) and fac-[Re(CO)(3)(6-acetamido-2-methyl-quinoline-5,8-dione) Cl](2)center dot CHCl(3)(4 center dot CHCl(3)), 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.

• 出版日期2011-2