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dc.creatorSilla, Josué M.-
dc.creatorCormanich, Rodrigo A.-
dc.creatorDuarte, Claudimar J.-
dc.creatorFreitas, Matheus P.-
dc.creatorRamalho, Teodorico C.-
dc.creatorBarbosa, Thaís M.-
dc.creatorSantos, Francisco P.-
dc.creatorTormena, Cláudio F.-
dc.creatorRittner, Roberto-
dc.date.accessioned2020-07-12T22:51:48Z-
dc.date.available2020-07-12T22:51:48Z-
dc.date.issued2011-07-
dc.identifier.citationSILLA, J. M. et al. Alkyl group effect on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes analyzed by NMR spectroscopy and theoretical calculations. Journal of Physical Chemistry A, [S.l.], v. 115, n. 35, p. 10122-10127, July 2011. DOI: 10.1021/jp206136t.pt_BR
dc.identifier.urihttps://pubs.acs.org/doi/10.1021/jp206136tpt_BR
dc.identifier.urihttp://repositorio.ufla.br/jspui/handle/1/41816-
dc.description.abstractSuitable 3JH,H coupling constants and theoretical calculations were used to define the conformational preferences of trans-2-bromoalkoxycyclohexanes (alkoxy = OMe, OEt, OiPr, and OtBu) for the isolated molecule and as a function of the medium. The diaxial conformer was preponderant, or at least similarly populated to the diequatorial form, for the tert-butoxy derivative only, while the diequatorial conformer was prevalent for the remaining alkoxy derivatives (except for the OMe derivative in CCl4 solution). The conformational behavior of these compounds was analyzed on the basis of classical steric effects and attractive electron delocalizations, by means of natural bond orbital analysis.pt_BR
dc.languageen_USpt_BR
dc.publisherAmerican Chemical Society (ACS)pt_BR
dc.rightsrestrictAccesspt_BR
dc.sourceJournal of Physical Chemistry Apt_BR
dc.subjectReaction productspt_BR
dc.subjectMolecular propertiespt_BR
dc.subjectSolventspt_BR
dc.subjectConformationpt_BR
dc.subjectMolecular structurept_BR
dc.titleAlkyl group effect on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes analyzed by NMR spectroscopy and theoretical calculationspt_BR
dc.typeArtigopt_BR
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