Journal of Physical Chemistry A, Vol.112, No.50, 12849-12854, 2008
The Different Aromatic Characters of Some Localized Benzene Derivatives
Localized benzene derivatives can be separated into two classes, one that retains large diamagnetic ring currents and a second that loses the diamagnetic ring current. Energetic criteria and NICS scan are used to evaluate the nature of the two classes. Huckel-type treatment, MO analysis, and comparison to model compounds suggest that there is no connection between geometric localization and the loss of aromaticity.