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dc.creatorValentić, Nataša
dc.creatorVitnik, Željko
dc.creatorMijin, Dušan
dc.creatorUšćumlić, Gordana
dc.creatorTodorović, Nina
dc.creatorJuranić, Ivan
dc.date.accessioned2021-03-10T11:12:03Z
dc.date.available2021-03-10T11:12:03Z
dc.date.issued2009
dc.identifier.issn1551-7004
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/1532
dc.description.abstractThe C-13 NMR chemical shifts of the C2 carbon atom in the heteroaromatic nuclei of seventeen 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones were determined in deuterated DMSO solution. For quantitative assessment of the substituent effects on the C-13 NMR chemical shifts simple and extended Hammett equations and Swain-Lupton equation were used. The mode of transmission of substituent effects have been discussed in a relation to the geometry of investigated molecules. The geometry data were obtained using semiempirical MNDO-PM6 energy calculations. The observed C-13 NMR substituent chemical shifts were correlated with literature C-13 NMR data for the corresponding 3- and 4-substituted- 2',6'-dimethylazobenzenes and 3- and 4-substituted azobenzenes. A good linear dependence obtained in this way, provided a basis to discuss the influence of the ortho-methyl groups on the degree of coplanarity of azobenzene and pyridone systems, and on the efficiency of transmission of electronic substituent effect from one ring to the other one.en
dc.publisherArkat Usa Inc, Gainesville
dc.relationinfo:eu-repo/grantAgreement/MESTD/MPN2006-2010/142063/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/MPN2006-2010/142010/RS//
dc.rightsopenAccess
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.sourceArkivoc
dc.subjectLFER modelsen
dc.subjectarylazo pyridone dyesen
dc.subjectsubstituent effectsen
dc.subjectazo linking groupen
dc.subjectMNDO-PM6 and DFT-ab initio calculationsen
dc.titleLinear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridonesen
dc.typearticle
dc.rights.licenseBY
dc.citation.epage240
dc.citation.other: 227-240
dc.citation.rankM23
dc.citation.spage227
dc.identifier.doi10.3998/ark.5550190.0010.d20
dc.identifier.fulltexthttp://TechnoRep.tmf.bg.ac.rs/bitstream/id/220/1529.pdf
dc.identifier.scopus2-s2.0-77953199233
dc.identifier.wos000277913200020
dc.type.versionpublishedVersion


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Приказ основних података о документу