Journal of Physical Chemistry A, Vol.113, No.6, 1151-1158, 2009
Clar Theory for Molecular Benzenoids
Eric Clar's ideas concerning "aromatic sextets" are extended to a quantitative format in terms of a polynomial called the "Clar 2-nomial", along with related derivative quantities. The quantification is successfully tested to make correlations with a selection of numerical data, including resonance energies, bond lengths, and NICS ring-aromaticity values.