Anticipating molecular polarity. IV - A semiempirical study of pi-polarizations in non-alternant hydrocarbon radicals with graph-theoretical and perturbational analyses

A new graph-theoretical approach to predicting topologically induced polari ties in non-alternant monocyclic radicals is presented. Bisnorgraphs are de fined and exploited for this purpose. PM3 (parameterization method 3) entha lpies of reaction for the formation of non-alternant monocyclic radicals ap pear to be sensitive to the extent of topological framework polarization in these radicals.