Is the 3MLCT the only photoreactive state of polypyridyl complexes?

Fabienne Alary (1) , Jean-Louis Heully (1) , L. Bijeire (2) , Patricia Vicendo (2)

1 PTC - Photochimie théorique et computationnelle (LCPQ)
2 IMRCP - Interactions moléculaires et réactivité chimique et photochimique

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.

Domaines: Chimie théorique et/ou physique; Chimie inorganique

Fabienne Alary, Jean-Louis Heully, L. Bijeire, Patricia Vicendo. Is the 3MLCT the only photoreactive state of polypyridyl complexes?. Inorganic Chemistry, 2007, 46 (8), pp.3154-3165. ⟨10.1021/ic062193i⟩. ⟨hal-00941075⟩