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Theory of the PCP effect and related phenomena

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Abstract

Recent studies of cyclic conjugation in the five-membered ring of acenaphthylene and fluoranthene congeners revealed some peculiar regularities, of which the so-called PCP effect attracted the greatest attention. The PCP effect is a significant increase in the magnitude of cyclic conjugation in the five-membered ring caused by the six-membered rings separated from the five-membered ring by a single carbon–carbon bond. We now present the mathematical formalism of a general theory capable of treating cyclic–conjugation phenomena of this kind, of which the PCP effect is just a special case. Namely we calculate the influence of any cycle present in a polycyclic conjugated molecule on the energy effect of cyclic conjugation of any other cycle.

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Authors and Affiliations

  1. Faculty of Science, University of Kragujevac, P. O. Box 60, 34000, Kragujevac, Serbia

    Ivan Gutman

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  1. Ivan Gutman
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Correspondence to Ivan Gutman.

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Gutman, I. Theory of the PCP effect and related phenomena. J Math Chem 47, 1303–1312 (2010). https://doi.org/10.1007/s10910-009-9655-9

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  • DOI: https://doi.org/10.1007/s10910-009-9655-9

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