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

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. [ABSTRACT FROM AUTHOR]