I. Gutman et V. Petrovic, THEORETICAL-STUDY OF CYCLIC CONJUGATION IN PHENES - SOME HITHERTO UNNOTICED FEATURES, Monatshefte fuer Chemie, 126(11), 1995, pp. 1179-1185
Cyclic conjugation in phenes is examined by means of the Bosanac-Gutma
n-Aihara method. In contrast to the predictions based on the analysis
of Kekule or Clar structures, we find that when going along the hexago
ns of a phene molecule, cyclic conjugation varies in a rather non-unif
orm manner. In contrast to a number of other homologous series of benz
enoid hydrocarbons, the intensity of cyclic conjugation in phenes incr
eases when going towards the center of the molecule.