Journal of The Electrochemical Society · 1992 · 128 citations · 0 references
Natural SciencesChemistryPhysicsInorganic ChemistryQuantum ChemistrySpectroscopyElectronic SpectroscopyInfrared SpectroscopyMolecular Orbital TheoryNear-infrared SpectroscopyOxidation-reduction ReactionsRedox ChemistryAbsorption SpectraElectronic Absorption SpectraInfrared Absorption SpectraMolecular Orbital AnalysisMolecular Orbital DiagramsNear-infrared Absorption SpectroscopyOxidation State DeterminationOxidation States
C60 can exist in a number of oxidation states including C60(1-), C60(2-) and C60(3-). Ultraviolet-visible absorption data have been described. Near-infrared absorption data have not been presented for any of the oxidation states of C60. we have discovered that this is a serious oversight, because near-IR absorption peaks which are unique to C60(1-) C60(2-) and C60(3-) are observed upon one, two and three electron electrochemical reductions of C60. We have rationalized the energies and intensities of these electronic absorptions based on modifications of the known molecular orbital diagram for C60. The near-IR absorptions reported here should provide a clear and unambiguous route for determining the oxidation state of C60 in solution.