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|Title:||Extending the phenyl-cyclopentadienyl rule|
|Keywords:||Theoretical chemistry;Graph theory;PCP rule;Energy effects;Cyclic conjugation;Polycyclic conjugation|
|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.|
|Appears in Collections:||IJC-A Vol.48A(05) [May 2009]|
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