Calculation of the electronic spectra and excited-state distortions of W(CO)5(N-donor) from preresonance Raman intensities

Tutt, Lee W.; Zink, Jeffrey I.

doi:10.1021/ja00279a028

Cited by 69 publications

(64 citation statements)

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“…The "missing mode" or MIME effect is a rigorous timedependent method for calculating observed progressions from the individual modes that are their origin. 61,62,71,72 Many important correlations between theory and experiment have been made based on one-and two-mode spectral fits. The single-mode expression for emission spectral fitting 29,30,35,38 in terms of the emission intensity, I(ν), relative to the intensity of the 0-0 transition, is given by eq 22…”

Section: Resultsmentioning

confidence: 99%

Time-Dependent Raman Analysis of Metal-to-Ligand Charge Transfer Excited States: Application to Radiative and NonRadiative Decay

et al. 2003

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The photophysical properties of the emitting metal-to-ligand charge transfer (MLCT) excited states of the complexes, [Os(bpy) 3 ] 2+ , [Os(bpy) 2 (py) 2 ] 2+ , and [Os(bpy)(py) 4 ] 2+ (bpy ) 4-4′-bipyridine, py ) pyridine) have been characterized in aqueous solution at room temperature by absorption, emission, and Raman spectroscopies and by emission lifetimes and emission quantum yields. A spectroscopic model has been developed by using the time-dependent theory of Raman scattering, taking into account interference effects on resonance Raman profiles arising from interactions between the different ligands. A model based on the cylindrical model of Sension and Strauss provides a good fit to the data. The mode-specific vibrational parameters obtained from the spectroscopic analysis are used to calculate the vibrational contributions to the radiative and nonradiative decay rate constants for each of the complexes. These results and the experimental rate constants were used to calculate vibrationally induced electronic coupling matrix elements (V k ) for nonradiative decay and also transition moments, M, for radiative decay. For radiative decay, the average transition moment for the three complexes was 0.05Å, and for nonradiative decay, the average value of V k was 910 cm -1 . Within a reasonable margin of error, the Franck-Condon contributions are in agreement with values obtained in a previous study that used the single mode approximation and a Franck-Condon analysis of emission spectra.

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Section: Resultsmentioning

confidence: 99%

Time-Dependent Raman Analysis of Metal-to-Ligand Charge Transfer Excited States: Application to Radiative and NonRadiative Decay

et al. 2003

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“…To a first ipproximation, the bandwidth at l/e of the peak height of the relevant absorption band, 2ea, is related to the frequencies, cok, and displacements, Ak of coupled vibrations, through the following equation (17]:…”

Section: Nmentioning

confidence: 99%

The ground and excited state electronic structures of ruthenium quinones and related species

Lever

Masui

Metcalfe

et al. 1993

Coordination Chemistry Reviews

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“…Rull (NH3)4 (bpy') 2+ (14) This species was chosen because it is strongly chromophoric, reasonably photo stable, and completely nonluminescent. In addition, because the complex contains twelve potential hydrogen bonding sites (in the form of ammine protons) the MLCT energetics are exceedingly sensitive to the nature of the solvent.…”

Section: Metal-to-ligand Charge Transfermentioning

confidence: 99%

Experimental assessment of dynamic structural parameters for homogeneous and interfacial charge-transfer reactions: case studies based on time-dependent Raman scattering methods

Doorn

Blackbourn

Johnson

et al. 1991

Electrochimica Acta

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Calculation of the electronic spectra and excited-state distortions of W(CO)5(N-donor) from preresonance Raman intensities

Cited by 69 publications

References 1 publication

Time-Dependent Raman Analysis of Metal-to-Ligand Charge Transfer Excited States: Application to Radiative and NonRadiative Decay

Time-Dependent Raman Analysis of Metal-to-Ligand Charge Transfer Excited States: Application to Radiative and NonRadiative Decay

The ground and excited state electronic structures of ruthenium quinones and related species

Experimental assessment of dynamic structural parameters for homogeneous and interfacial charge-transfer reactions: case studies based on time-dependent Raman scattering methods

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