A carbon-13 NMR study of 2-substituted-5-N,N-dimethylaminophenols: Correlations of substituent-induced chemical shifts with substituent parameters

dc.creatorRittner, R
dc.creatorBarbarini, JE
dc.date1998
dc.date2014-07-30T13:39:10Z
dc.date2015-11-26T16:35:07Z
dc.date2014-07-30T13:39:10Z
dc.date2015-11-26T16:35:07Z
dc.date.accessioned2018-03-28T23:17:30Z
dc.date.available2018-03-28T23:17:30Z
dc.identifierCanadian Journal Of Analytical Sciences And Spectroscopy. Spectroscopy Soc Canada, Ottawa, v. 43, n. 1, n. 14, n. 18, 1998.
dc.identifier1205-6685
dc.identifierWOS:000074613100004
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/52814
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/52814
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1271410
dc.descriptionThe Carbon-13 NMR spectra of seven 2-subsituted-5-N,N-dimethylaminophenols and of the parent compound were recorded, and unequivocal assignments of the chemical shifts through the use of HETCOR and COLOC sequences were performed Large intramolecular interaction chemical shifts (ICS) were observed for C-1 (-10.2 to +8.1 ppm) and moderate values for C-2, C-3 and C-6 (-3.7 to +3.7), mostly for the oxygen-bearing derivatives [OCH3, NO2 and C(O)CH3]. Correlation analyses for the substituent-induced chemical shifts (SCS) with several sets of substituent parameters were carried out, through SSP, DSP and DSP-NER treatments, as well as through multiple regression analysis, The resonance contribution is predominant for C-1, C-5 and C-6, while for C-2 and C-3 the electronegativity parameter is the prevailing component, but for C-4 no correlation was found Negative rho(R) values for C-3 and C-6, and also negative rho(I) values for C-6 were observed (reverse substituent effect).
dc.description43
dc.description1
dc.description14
dc.description18
dc.languageen
dc.publisherSpectroscopy Soc Canada, Ottawa
dc.publisherOttawa
dc.publisherCanadá
dc.relationCanadian Journal Of Analytical Sciences And Spectroscopy
dc.relationCan. J. Anal. Sci. Spectrosc.
dc.rightsfechado
dc.sourceWeb of Science
dc.subjectcarbon-13 NMR
dc.subjectsubstituted aminophenols
dc.subjectsubstituent effects
dc.subjectPhenols
dc.subjectBenzenes
dc.subjectRegression
dc.subjectResonance
dc.titleA carbon-13 NMR study of 2-substituted-5-N,N-dimethylaminophenols: Correlations of substituent-induced chemical shifts with substituent parameters
dc.typeArtículos de revistas


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