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• W2077199135 abstract "[structure: see text] While the total aromatic stabilization energies (ASE) of the [n]annulenes, from C(6)H(6) to C(66)H(66), converge to ca. 22 kcal/mol, the ASEs per pi-electron decrease markedly. Bond length alternation (which depends on the theoretical level) only reduces stabilization somewhat but influences the magnetic properties (NICS, proton chemical shifts, and magnetic susceptibilities) considerably. Nevertheless, these magnetic criteria, when based on the most realistic structures, agree that the aromaticities of the larger annulenes decrease and then nearly vanish." @default.
• W2077199135 created "2016-06-24" @default.
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• W2077199135 date "2003-02-25" @default.
• W2077199135 modified "2023-10-14" @default.
• W2077199135 title "How Aromatic Are Large (4<i>n</i> + 2)π Annulenes?" @default.
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• W2077199135 doi "https://doi.org/10.1021/ol027571b" @default.
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