%0 Journal Article %T Is the 3MLCT the only photoreactive state of polypyridyl complexes? %+ Photochimie théorique et computationnelle (LCPQ) (PTC) %+ Interactions moléculaires et réactivité chimique et photochimique (IMRCP) %A Alary, Fabienne %A Heully, Jean-Louis %A Bijeire, L. %A Vicendo, Patricia %< avec comité de lecture %@ 0020-1669 %J Inorganic Chemistry %I American Chemical Society %V 46 %N 8 %P 3154-3165 %8 2007-03-21 %D 2007 %R 10.1021/ic062193i %Z Chemical Sciences/Theoretical and/or physical chemistry %Z Chemical Sciences/Inorganic chemistryJournal articles %X Characterization of metal-centered triplet states with two monodentate ligands in [Ru(bpy)3]2+ and [Ru(bpz)3]2+ complexes has been achieved by using the density functional theory method. These states are quasi-degenerate with their corresponding 3MLCT states and can readily react with their environment. %G English %L hal-00941075 %U https://hal.archives-ouvertes.fr/hal-00941075 %~ CNRS %~ IRSAMC %~ LCPQ %~ LCPQ_PTC %~ INC-CNRS %~ UNIV-TLSE3 %~ INSA-TOULOUSE %~ IMRCP