Excited state potential energy surfaces of bistridentate RuII complexes - A TD-DFT study

► The PESs of two RuII-bistridentate complexes have been calculated with TD-DFT. ► The 3MLCT-3MC barriers are in reasonable agreement with experiments. ► The TD-DFT study allows for the evaluation of higher excited states. ► The results suggest that PESs can qualitatively predict excited state properties.