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- W2007788385 abstract "Four different redox states of the trinuclear ruthenium clusters of general formula [Ru3(μ3-O)(μ-CH3CO2)6(L)3] (L = xylyl isocyanide (1), tert-butyl isocyanide (2)) were generated electrochemically in solution and studied by reflectance infrared spectroelectrochemistry. The IR spectra in the ν(C⋮N) region show multiple-band structure in the RuIIIRuII2 (−1) and RuIII2RuII (0) states but a sharp single band in the RuIII3 (+1) or RuIVRuIII2 (+2) state. Density functional theory (DFT) ab initio calculations were performed for free xylyl isocyanide and tert-butyl isocyanide. The results suggest that the C⋮N−C bending mode interacts through Fermi resonance with the ν(C⋮N) fundamental for the 0 and −1 states of both 1 and 2. The extensive redox chemistry of the Ru3(μ3-O) clusters 1 and 2 offers a convenient means of effecting shifts in the energy of ν(C⋮N) bands of coordinated isocyanide ligands, in and out of Fermi resonance with the C⋮N−C bending overtone." @default.
- W2007788385 created "2016-06-24" @default.
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- W2007788385 date "2000-05-11" @default.
- W2007788385 modified "2023-10-06" @default.
- W2007788385 title "Unusual Redox State Dependent Fermi Resonances in the Infrared Spectra of Trinuclear Ruthenium Clusters with Isocyanide Ligands" @default.
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- W2007788385 doi "https://doi.org/10.1021/ic991404z" @default.
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