Electronic structural model for the emitting MLCT excited states of Ru(bpy)/sub 3//sup 2 +/ and Os(bpy)/sub 3//sup 2 +/

Journal Article · Wed Nov 21 04:00:00 EST 1984 · Inorg. Chem.; (United States)

DOI:https://doi.org/10.1021/ic00192a009· OSTI ID:5756338

Kober, E M; Meyer, T J

A simple parametric model that includes spin-orbit coupling is developed for the localized metal to ligand charge transfer (MLCT) excited states of M(bpy)/sub 3//sup 2 +/ (M = Ru, Os; bpy = 2,2-bipyridine). In agreement with experimental data, it is found that there are three closely spaced (<200 cm/sup -1/) low-lying states with a fourth state occurring several hundred cm/sup -1/ to higher energy. As has also been observed, it is predicted that emission from the lowest state is dipole forbidden. Complete state assignments are proposed on the basis of limited polarization data. In general, it is found that, for any Ru or Os bpy complex, no more than four low-lying MLCT states should be present.

• Research Organization: Univ. of North Carolina, Chapel Hill
• OSTI ID: 5756338
• Journal Information: Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 23:24; ISSN INOCA
• Country of Publication: United States
• Language: English

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AZINES
BIPYRIDINES
DATA
ELECTRONIC STRUCTURE
ENERGY LEVELS
EXCITED STATES
EXPERIMENTAL DATA
HETEROCYCLIC COMPOUNDS
INFORMATION
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
OSMIUM COMPOUNDS
PYRIDINES
REFRACTORY METAL COMPOUNDS
RUTHENIUM COMPOUNDS
STRUCTURAL MODELS
TRANSITION ELEMENT COMPOUNDS