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- W2603071283 endingPage "4147" @default.
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- W2603071283 abstract "The low activation barrier to the Cope rearrangement of semibullvalenes has been attributed to the inherent ring-strain of this nucleus. Appropriate, Dewar–Hoffmann, substitution of semibullvalene results in the stabilization of the transition state and a further lowering of the Cope barrier. An alternative proposal for lowering/eliminating this barrier is the use of strain to destabilize the localized semibullvalene. Using density functional and Hartree–Fock calculations, we predict that additionally straining the semibullvalene nucleus, by small ring annelations, will lead to a lowering of the Cope barrier and ultimately to ground state neutral homoaromatics." @default.
- W2603071283 created "2017-04-07" @default.
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- W2603071283 date "2017-04-11" @default.
- W2603071283 modified "2023-09-27" @default.
- W2603071283 title "The Role of Strain in the Homoaromatization of Semibullvalenes" @default.
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- W2603071283 doi "https://doi.org/10.1021/acs.joc.7b00043" @default.
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