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 P 2 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).