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Near‐IR Absorption Spectra for the Buckminsterfullerene Anions: an Experimental and Theoretical Study
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1992
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Molecular Orbital DiagramEngineeringAbsorption SpectroscopyChemistryElectronic Excited StateTheoretical ElectrochemistrySpectroscopic PropertyChemical EngineeringTheoretical StudyNear‐ir Absorption SpectraRedox ChemistryOxidation StatePhysicsInfrared SpectroscopyPhysical ChemistryQuantum ChemistryOxidation StatesElectrochemistryExcited State PropertyNatural SciencesSpectroscopyBuckminsterfullerene AnionsLight Absorption
can exist in a number of oxidation states including , , , and . We describe in this paper near‐IR absorption peaks which are unique to these four oxidation states. These peaks are observed upon one, two, three, and four electron electrochemical reductions of . We have rationalized the energies and intensities of these electronic absorptions based on modifications of the known molecular orbital diagram of . The near‐IR absorptions reported here should provide a clear and unambiguous route for determining the oxidation state of in solution.