Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/10383
Full metadata record
DC FieldValueLanguage
dc.rights.licenserestrictedAccess-
dc.contributor.authorGutman I.-
dc.contributor.authorRadenkovic, Slavko-
dc.contributor.authorAntić, Marija-
dc.contributor.authorĐurđević Nikolić, Jelena-
dc.date.accessioned2021-04-20T15:36:57Z-
dc.date.available2021-04-20T15:36:57Z-
dc.date.issued2013-
dc.identifier.issn0352-5139-
dc.identifier.urihttps://scidar.kg.ac.rs/handle/123456789/10383-
dc.description.abstractThe Clar aromatic sextet theory predicts that the intensity of cyclic conjugation in chevron-type benzenoid hydrocarbons monotonically decreases along the central chain. This regularity has been tested by means of several independent theoretical methods (by the energy effects of the respective sixmembered rings, as well as by their HOMA, NICS, and SCI values, calculated at the B3LYP/6-311G(d,p) level of DFT theory). Our results show that the predictions of Clar theory are correct only for the first few members of the chevron homologous series, and are violated at the higher members. This indicates that Clar theory is not universally applicable, even in the case of fully conjugated benzenoid molecules.-
dc.rightsinfo:eu-repo/semantics/restrictedAccess-
dc.sourceJournal of the Serbian Chemical Society-
dc.titleA test of clar aromatic sextet theory-
dc.typearticle-
dc.identifier.doi10.2298/JSC130520057G-
dc.identifier.scopus2-s2.0-84887595415-
Appears in Collections:Faculty of Science, Kragujevac

Page views(s)

460

Downloads(s)

8

Files in This Item:
File Description SizeFormat 
PaperMissing.pdf
  Restricted Access
29.86 kBAdobe PDFThumbnail
View/Open


Items in SCIDAR are protected by copyright, with all rights reserved, unless otherwise indicated.