EXAFS, DFT, Light-Induced Nucleobase Binding, and Cytotoxicity of the Photoactive Complex cis-[Ru(bpy)2(CO)Cl]+

The aqueous photochemistry of cis [Ru(bpy)(2)(CO)Cl](+) (1) was investigated at 310 K and under visible light (white) irradiation by NMR and ESI HR MS Complex 1 releases a Cl ligand coordinates a solvent molecule and forms the complex cis [Ru(bpy)(2)(CO)(H2O)](2+) (2) Also irradiation experiments were performed in the presence of the nucleobase derivatives 9 ethylguanine (9 EtG) and 9 ethyladenine (9 EtA) Formation of Ru 9 EtG adducts was observed after 3 h irradiation by NMR and HR MS while only very small amounts of a Ru 9 EtA adduct could be detected by HR MS Solution structural data were obtained by X ray absorption spectroscopy (XAS) for both 1 and 2 EXAFS gave a Ru-Cl distance of 2 416(7) A for 1 and a Ru-O-H2O distance of 2 102(6) A for 2 DFT and TDDFT were employed to study the photophysical and photochemical properties of 1 Calculations show that dissociative metal centered states can be related to the light induced release of a Cl ligand and subsequent coordination of a solvent molecule The compound showed no antiproliferative activity in three human carcinoma cell lines (lung bladder pancreas) under the testing conditions either with or without irradiation with UV light