Cyclic conjugation in benzo-annelated coronenes
Macedonian Journal of Chemistry and Chemical Engineering, 2010 The cyclic conjugation in benzo-annelated coronenes is studied by means of the energy effect (ef) and π-electron content (EC) of the six-membered rings.
Svetlana Jeremić +2 more
doaj +6 more sources
Annelated perylenes: benzenoid molecules violating the Kekulé-structure-based cyclic conjugation models [PDF]
Journal of the Serbian Chemical Society, 2005 Several currently used models for assessing the extent of cyclic conjugation in benzenoid hydrocarbons, all based on Kekulé-type structural formulas, predict that there is no cyclic conjugation in the central, “empty”, ring of perylene and its annelated ...
IVAN GUTMAN +4 more
doaj +6 more sources
Effect of a ring on the cyclic conjugation in another ring: applications to acenaphthylene-type polycyclic conjugated molecules [PDF]
Journal of the Serbian Chemical Society, 2010 In a recent work, a method was developed for assessing the influence ief(G, Z0|Z1) of a ring Z1 on the energy effect of another ring Z0 in a polycyclic conjugated molecule G. Herein, a report is given of detailed numerical investigations of ief(G, Z0|Z1)
SLAVKO RADENKOVIĆ +3 more
doaj +3 more sources
Verifying the PCP-rule by five-center bond indices [PDF]
Journal of the Serbian Chemical Society, 2009 According to the recently discovered PCP-rule, the (stabilizing) energy-effect of the cyclic conjugation in the 5-membered ring of acenaphthylene- and fluoranthene-type polycyclic conjugated hydrocarbons increases with the number of phenyl ...
JELENA ĐURĐEVIĆ +2 more
doaj +4 more sources
RSC Advances, 2018 By alternating high aromaticity and reduced aromaticity in an extended fused π-system, a high triplet energy can be obtained.
Kai Lin Woon +3 more
openaire +5 more sources
Cyclic conjugation in benzo- and benzocyclobutadieno-annelated terrylenes and higher rylenes [PDF]
Journal of the Serbian Chemical Society, 2012 The effect of benzo- and benzocyclobutadieno-annelation on cyclic conjugation in terrylene and the higher members of the rylene homologous series is examined.
Marković Marija +2 more
doaj +1 more source
Verifying the modes of cyclic conjugation in tetrabenzo[bc,ef,op,rs]circumanthracene [PDF]
Journal of the Serbian Chemical Society, 2012 Cyclic conjugation in the "empty" central ring of tetrabenzo- [bc,ef,op,rs]circumanthracene (TBCA) is stronger than in its neighboring "nonempty" rings, contradicting the predictions of Kekulè-structure-based theoretical models.
Gutman Ivan +3 more
doaj +1 more source
Testing the Clar theory: Cyclic conjugation in some benzo- and naphthaleno-annelated ovalenes [PDF]
Kragujevac Journal of Science, 2014 Cyclic conjugation (assessed by its energy effect) is studied in benzo- and naphthaleno-annelated ovalenes, in which annelation is in positions d and o.
Gutman Ivan +2 more
doaj +1 more source
Effect of benzocyclobutadieno-annelation on cyclic conjugation in perylene
Macedonian Journal of Chemistry and Chemical Engineering, 2011 Earlier studies showed that the intensity of cyclic conjugation in the central ring R of perylene can be significantly altered by means of benzo-annelation. In particular, linear (resp. angular) benzoannelation was found to decrease (resp.
Ivan Gutman, Beba Stojanovska
doaj +1 more source
Why is phenanthrene more stable than anthracene?
Macedonian Journal of Chemistry and Chemical Engineering, 2007 By means of a recently developed molecular-orbital-based method it is possible to estimate the energy effects of individual cycles, as well as pairs, triplets, etc. of cycles in polycyclic conjugated molecules.
Ivan Gutman, Sonja Stanković
doaj +1 more source