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Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones
dc.creator | Valentić, Nataša V. | |
dc.creator | Vitnik, Željko | |
dc.creator | Mijin, Dušan | |
dc.creator | Ušćumlić, Gordana | |
dc.creator | Todorović, Nina | |
dc.creator | Juranić, Ivan | |
dc.date.accessioned | 2020-12-08T11:38:54Z | |
dc.date.available | 2020-12-08T11:38:54Z | |
dc.date.issued | 2009 | |
dc.identifier.issn | 1551-7004 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/3994 | |
dc.description.abstract | The 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.language.iso | en | sr |
dc.publisher | Arkat USA Inc. | sr |
dc.relation | info:eu-repo/grantAgreement/MESTD/MPN2006-2010/142063/RS// | sr |
dc.relation | info:eu-repo/grantAgreement/MESTD/MPN2006-2010/142010/RS// | sr |
dc.rights | openAccess | sr |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.source | ARKIVOC - Online Journal of Organic Chemistry | sr |
dc.subject | LFER models | sr |
dc.subject | arylazo pyridone dyes | sr |
dc.subject | substituent effects | sr |
dc.subject | azo linking group | sr |
dc.subject | MNDO-PM6 | sr |
dc.subject | DFT-ab initio calculations | sr |
dc.subject | uv/vis absorption-spectra | sr |
dc.subject | hindered azobenzenes | sr |
dc.subject | azo dyes | sr |
dc.subject | pm3 | sr |
dc.subject | substituent | sr |
dc.subject | mechanism | sr |
dc.subject | solvents | sr |
dc.title | Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones | en |
dc.type | article | sr |
dc.rights.license | BY | sr |
dcterms.abstract | Јуранић, Иван; Валентић, Наташа В.; Витник, Жељко; Ушћумлић, Гордана; Тодоровић, Нина; Мијин, Душан; | |
dc.rights.holder | The Authors | sr |
dc.citation.volume | 2009 | |
dc.citation.issue | 13 | |
dc.citation.spage | 227 | |
dc.citation.epage | 240 | |
dc.citation.rank | M23 | |
dc.identifier.doi | 10.3998/ark.5550190.0010.d20 | |
dc.identifier.fulltext | https://cer.ihtm.bg.ac.rs/bitstream/id/18387/linear-free-energy-relationships-of-the-13c-nmr-chemical.pdf | |
dc.identifier.scopus | 2-s2.0-77953199233 | |
dc.identifier.wos | 000277913200020 | |
dc.type.version | publishedVersion | sr |