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IJC-A Vol.48A(05) [May 2009] >

Title: Extending the phenyl-cyclopentadienyl rule
Authors: Gutman, Ivan
Jeremić, Svetlana
Petrović, Vladimir
Keywords: Theoretical chemistry
Graph theory
PCP rule
Energy effects
Cyclic conjugation
Polycyclic conjugation
Issue Date: May-2009
Publisher: CSIR
Abstract: By examining the energy effect of cyclic conjugation in individual rings of acenaphthylene- and fluoranthene-type polycyclic conjugated molecules, a peculiar regularity - named the “PCP rule” - was recently discovered [Gutman, I, Đurđević J & Balaban A T, 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 exists in polycyclic conjugated species possessing an odd-membered ring of size greater than five.
Page(s): 658-662
ISSN: 0376-4710
Source:IJC-A Vol.48A(05) [May 2009]

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