A new topological method predicting the number of nonbonding molecular orbitals (NBMO's) in organic molecules is elaborated. The method is a generalization of the Longuet-Higgins theorem and extends significantly the number of non-classical (non-Kekule) π -electron systems to alternant and non-alternant hydrocarbons and their heteroanalogues. The polymers of this type possess a band of degenerate NBMO's. A study of the spin correlation in the degenerate band shows that this group of nonclassical systems represents a new class of high-spin polymers, some of which probably with a ferromagnetic ground state.
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Tyutyulkov et al. (1989) studied this question.
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