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. Hückel-type treatment, MO analysis, and comparison to model compounds suggest that there is no connection between geometric localization and the loss of aromaticity.
Stanger
Amnon
A
Schulich Faculty of Chemistry and The Lise-Meitner-Minerva Center for Computational Quantum Chemistry, Technion-Israel Institute of Technology, Haifa 32000, Israel. stanger@tx.technion.ac.il