Excited state potential energy surfaces of bistridentate Ru-II complexes - A TD-DFT study
Time-dependent density functional theory (TD-DFT) calculations have been used to investigate low-energy singlet and triplet excited state potential energy surfaces (PES) of two prototype Ru-II-bistridentate complexes: [Ru-II(tpy)(2)](2+) (tpy is 2,2':6',2 ''-terpyridine) and [Ru-II(dqp)(2)](2+) (dqp is 2,6-di(quinolin-8-yl)pyridine). Solvent effects were considered using a self-consistent reaction
