Mean-field resonating-valence-bond theory for unpaired π-electrons in benzenoid carbon species
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abstract
A qualitative resonance-theory, which described a variety of conjugated π-network species identified with subgraphs of the graphite work, was presented. The resonance theory included simple rules to provide qualitative information, on ground-state spin multiplicities, patterns of ground-state spin density, and exchange splittings to low-lying spin-flipped excited states. The predictions of resonance theory were found to be in agreement with a semiemperical unrestricted Hartree-Fock view of some quantitative tight-binding molecular-orbit-theoretic computations.
