Publication | Closed Access
Kinetics and DFT studies on wateroxidation by Ce4+ catalyzed by [Ru(terpy)(bpy)(OH2)]2+
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Citations
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References
2011
Year
EngineeringInorganic PhotochemistryChemistryDft StudiesSpectra-structure CorrelationChemical EngineeringHomogeneous CatalysisTd-dft CalculationsInorganic ChemistryPhotochemistryRapid PathsSpectroelectrochemistryPhysical ChemistryCatalysisQuantum ChemistryOxygen Reduction ReactionNatural SciencesChemical KineticsDeoxygenation
The Ru(V)==O species and other intermediates in O(2) evolution from water catalyzed by [Ru(terpy)(bpy)(OH(2))](2+) were spectrophotometrically characterized, and the spectral components observed were identified based on the TD-DFT calculations. Moreover, important insights into the rapid paths after the RDS were given by the DFT studies.
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