Meijere, Armin de

[["dc.bibliographiccitation.firstpage","67"],["dc.bibliographiccitation.issue","2"],["dc.bibliographiccitation.journal","Journal of the Serbian Chemical Society"],["dc.bibliographiccitation.lastpage","76"],["dc.bibliographiccitation.volume","68"],["dc.contributor.author","Valenti´c, Nataésa V."],["dc.contributor.author","Vitnik, éZeljko"],["dc.contributor.author","Kozhushkov, Sergei I."],["dc.contributor.author","Meijere, Armin de"],["dc.contributor.author","Ués´cumli´c, Gordana S."],["dc.contributor.author","Juranic, Ivan O."],["dc.date.accessioned","2019-07-10T08:13:05Z"],["dc.date.available","2019-07-10T08:13:05Z"],["dc.date.issued","2003"],["dc.description.abstract","The principles of linear free energy relationships were applied to the 13C substituent chemical shifts (SCS) of the carbon atoms in the unsaturated chain of 3-methylene-4-substituted-1,4-pentadienes. Correlations of the SCS with the substituent parameters of Swain and Lupton provide a mutually consistent picture of the electronic effects in these compounds. The pattern of the electronic effects can be fully rationalized by a model based on the direct transmission of substituent effects through-space (direct through-space field effects), and via conjugative interactions (resonance effects), or by substituent-induced polarization of the p-system in the unsaturated chain (p-polarization effect). Semi-empirical MNDO-PM3 calculations suggest the s-cis conformation of 3-methylene-4-substituted-1,4- -pentadienes as the one with minimal heat of formation. Keywords: [3]dendralenes ; unsaturated chain carbon 13C SCS ; substituent effects ; reverse 13C SCS effect ; MNDO-PM3 calculations"],["dc.format.mimetype","application/pdf"],["dc.identifier.ppn","571579841"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/4443"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/61119"],["dc.language.iso","en"],["dc.notes.intern","Migrated from goescholar"],["dc.relation.issn","0352-5139"],["dc.rights","Goescholar"],["dc.rights.access","openAccess"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.subject.ddc","547"],["dc.title","Effect of substituents on the 13C-NMR chemical shifts of 3-methylene-4-substituted-1,4-pentadienes. Part I."],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]