Abstract
The Pullman parameter system is used in calculations by Hückel's method and by the Pariser-Parr-Pople method on these compounds. The interaction of the five- and six-membered rings is considered within the framework of the π- electron approximation. The energies of the lowest excited states are calculated via the interaction of a restricted number of configurations.
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Bochvar, D.A., Bagatur'yants, A.A. Electronic structures of conjugated systems with large effective charges. Theor Exp Chem 3, 483–486 (1971). https://doi.org/10.1007/BF00523713
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DOI: https://doi.org/10.1007/BF00523713