Electronic structural model for the emitting MLCT excited states of Ru(bpy)/sub 3//sup 2 +/ and Os(bpy)/sub 3//sup 2 +/
More experimental evidence is needed in order to completely resolve the question of localization versus delocalization for the metal ligand charge transfer (MLCT) excited states of Ru(bpy)/sub 3//sup 2 +/ and Os(bpy)/sub 3//sup 2 +/. The important point of the present work is that only four low-lying states are predicted and their polarization properties are well-defined. Since there is a one-to-one correspondence of predicted to observed states, availability of the polarization data should lead directly to an assignment of the states or to a rejection of the model. Unfortunately, a similar situation does not exist for the delocalized alternative. In a semi-qualitative analysis of the absorption spectra of the two complexes using a delocalized model as demanded by exciton theory, we predicted the existence of five low-lying MLCT excited states. Since the delocalized model gives more predicted than observed states, the goal of obtaining a definitive assignment or of providing a basis for rejection of the model would be more difficult based on the experiment. However, a distinction between the two models could probably be made readily solely on the basis of polarization data over the temperature range 1.7 to 300 K. 6 tables.
- Research Organization:
- Indiana Univ., Bloomington (USA). Dept. of Chemistry
- DOE Contract Number:
- AS05-78ER06034
- OSTI ID:
- 5750964
- Report Number(s):
- DOE/ER/06034-T3; ON: DE83014992
- Country of Publication:
- United States
- Language:
- English
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Electronic structural model for the emitting MLCT excited states of Ru(bpy)/sub 3//sup 2 +/ and Os(bpy)/sub 3//sup 2 +/
Concerning the absorption spectra of the ions M(bpy)/sub 3//sup 2 +/ (M = Fe, Ru, Os; bpy = 2,2'-bipyridine)
Related Subjects
400201* -- Chemical & Physicochemical Properties
400301 -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
ABSORPTION SPECTRA
AZINES
BIPYRIDINES
CHARGE EXCHANGE
COMPLEXES
DATA
ELECTRONIC STRUCTURE
ENERGY LEVELS
EXCITED STATES
EXPERIMENTAL DATA
HETEROCYCLIC COMPOUNDS
INFORMATION
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
OSMIUM COMPLEXES
PYRIDINES
RUTHENIUM COMPLEXES
SPECTRA
TRANSITION ELEMENT COMPLEXES