SYNTHESIS, CHARACTERIZATION, COMPUTATIONAL STUDIES AND SINGLE CRYSTAL STRUCTURES OF [Ru(N-P)2(O-O)] COMPLEXES

The title complexes [Ru(N-P)(2)(O-O)] (N-P = (8-diphenylphosphino)quinoline, O-O = dianion of oxalate (1), malonate (2) or 1,1-cyclobutandicarboxylate (3)), are prepared from [Ru(N-P)(2)Cl-2] by a reaction with potassium salt of oxalate, malonate, or cyclobutandicarboxylate, respectively. All the complexes have distorted octahedral structures. Complex 1 crystallizes in the monoclinic system with space groups P2(1)/c. On the other hand, complexes 2 and 3 crystallizes in the triclinic system with the space group P-1. The UV-Vis spectra of the three complexes are modeled using time dependent density function theory (TD-DFT).