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- W2604881207 abstract "Synthesis and physicochemical characterization of a series of molecular triads composed of ferrocene, C60, and nitroaromatic entities are reported. Electrochemical studies revealed multiple redox processes involving all three redox active ferrocene, C60, and nitrobenzene entities. Up to eight redox couples within the accessible potential window of o-dichlorobenzene containing 0.1 M (TBA)ClO4 are observed. A comparison between the measured redox potentials with those of the starting compounds revealed absence of any significant electronic interactions between the different redox entities. The geometric and electronic structure of the triads are elucidated by using ab initio B3LYP/3-21G(*) methods. In the energy-optimized structures, as predicted by electrochemical studies, the first HOMO orbitals are found to be located on the ferrocene entity, while the first LUMO orbitals are mainly on the C60 entity. The coefficients of the subsequent LUMO orbitals track the observed site of electrochemical reductions o..." @default.
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- W2604881207 date "2002-12-27" @default.
- W2604881207 modified "2023-09-24" @default.
- W2604881207 title "Molecular triads composed of ferrocene, C60, and nitroaromatic entities: electrochemical, computational, and photochemical investigations" @default.
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