Clar theory for molecular benzenoids. Academic Article uri icon

abstract

  • 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.

published proceedings

  • J Phys Chem A

author list (cited authors)

  • Misra, A., Klein, D. J., & Morikawa, T.

citation count

  • 28

complete list of authors

  • Misra, Anirban||Klein, DJ||Morikawa, T

publication date

  • February 2009