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.
Misra
Anirban
A
Texas A&M University at Galveston, MARS, 5007 Avenue U, Texas 77551, USA. anirbanmisra@yahoo.com
Klein
D J
DJ
Morikawa
T
T