Extending the phenyl-cyclopentadienyl rule
Abstract: By examining the energy effect of cyclic conjugation in individual rings of acenaphthylene- and fluoranthene-type polycyclic conjugated molecules, a peculiar pegularity – named the “PCP rule” – was recently discovered [Gutman I, Đurđević J & Balaban AT, Polycycl Arom Comp, 29 (2009) 3]. According to the PCP rule, a six-membered ring which is connected to the five-membered ring by a single carbon-carbon bond increases the cyclic conjugation in the five-membered ring. An analogous regularity also exist in polycyclic conjugated species possessing an odd-membered ring of size greater than five.
engleski
2009
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Keywords: Theoretcal chemistry, Graph theory, PCP rule, Energy effects, Cyclic conjugation, Polycyclic conjugation