Abstract
It is shown that the band structure of some nonclassical (non-Kekulé) polymers (NCPs) containing oxygen atoms in the unit cell is similar to one of the homonuclear alternant NCPs already treated. A specific feature of these polymers is an almost degenerate band of partially occupied quantum states (nonbonding MO) appearing within a wide energy gap between full and empty bands. Charge and spin density distributions of the nonbonding electrons are also similar to those with homonuclear alternant NCPs. The presence of a narrow band of degenerate quantum states (Hund's rule), the alternant character of the polymers, as well as the application of the results obtained for homonuclear alternant systems all lead to the conclusion that the studied systems are a new class of high-spin polymers with a probable ferromagnetic ground state.
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