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- W4200561014 abstract "The dianion and dication of tetramesityl-substituted tetracyclopentatetraphenylene, a circulene consisting of alternating five- and six-membered rings, have been generated by reduction with alkali metals and oxidation with antimony(V) halides, respectively. They are theoretically predicted to adopt double annulenoid structures called annulene-within-an-annulene models in which the outer and inner conjugation circuits are significantly decoupled. The theoretical structures were experimentally proven by X-ray crystallographic analyses and the electronic configurations were supported by MCD spectra. Based on the 13 C NMR chemical shifts, negative and positive charges are shown to be located mainly at the outer periphery, indicating that the dianion and dication have delocalized 22-π and 18-π electron outer perimeters, respectively, and 8-π electron structure at the inner ring. Notably, the dianion has an open-shell character, whereas the dication has a closed-shell ground state." @default.
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- W4200561014 date "2021-12-23" @default.
- W4200561014 modified "2023-10-16" @default.
- W4200561014 title "Dianion and Dication of Tetracyclopentatetraphenylene as Decoupled Annulene‐within‐an‐Annulene Models" @default.
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- W4200561014 doi "https://doi.org/10.1002/anie.202115316" @default.
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