Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
The superaromaticity concept is examined and developed, taking into account what is known about aromaticity. Three new hardness indices indices are defined, and shown to be excellent parameters for characterizing superaromaticity. High superaromaticity indicates significant global annulenoid conjugation relative to local benzenoid conjugation in circularly annealed benzenoid molecules. Kekulene, coronene and corannulene tetraanion all are predicted to be superaromatic. The prediction for the corannulene tetraanion strongly supports the “annulene-within-an-annulene” structure derived from NMR data.
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