Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/336553
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dc.contributor.CRUESPUNIVERSIDADE ESTADUAL DE CAMPINASpt_BR
dc.contributor.authorunicampCouto, Uenifer Rodrigues-
dc.contributor.authorunicampTormena, Cláudio Francisco-
dc.typeArtigopt_BR
dc.titleUnexpected behavior of the (3)J(CH) coupling constant in unsaturated compoundspt_BR
dc.contributor.authorCouto, Uenifer Rodrigues-
dc.contributor.authorNavarro-Vazquez, Armando-
dc.contributor.authorTormena, Claudio Francisco-
dc.subjectConstantes de acoplamentopt_BR
dc.subject.otherlanguageCoupling constantspt_BR
dc.description.abstractThe experimental and theoretical behavior of the (O(sic)C)-C(sic)C-H (3)J(CH) coupling constant is investigated for a series of alpha,beta-unsaturated compounds (1 to 8), and for some of them, the well-known relationship ((3)J(CHcis) J(CHtrans)) was observed. However, for some compounds, close values for (3)J(CHcis) and (3)J(CHtrans) couplings were observed, and for aldehydes group containing compounds (7 and 8E), an inversion order is observed ((3)J(CHcis) > (3)J(CHtrans)). In all cases where the (3)J(CHcis) J(CHtrans) relationship it is not followed, a polar group or electronegative atom oriented in opposite direction (s-trans) to the H-C(sic)C hydrogen is present, suggesting that conformational preference of such polar group or atoms are important factor on the behavior of (3)J(CH) couplings. Taking all of these in consideration, a new Karplus-type equation was proposed for (3)J(CH) couplings in alpha,beta-unsaturated compounds, which can be used for configurational and conformational assignment on trisubstituted double bond derivativespt_BR
dc.relation.ispartofMagnetic resonance in chemistrypt_BR
dc.relation.ispartofabbreviationMagn. reson. chem.pt_BR
dc.publisher.cityOxforpt_BR
dc.publisher.countryReino Unidopt_BR
dc.publisherJohn Wiley and Sonspt_BR
dc.date.issued2019-
dc.date.monthofcirculationNov.pt_BR
dc.language.isoengpt_BR
dc.description.volume57pt_BR
dc.description.issuenumber11pt_BR
dc.description.firstpage939pt_BR
dc.description.lastpage945pt_BR
dc.rightsFechadopt_BR
dc.sourceWOSpt_BR
dc.identifier.issn0749-1581pt_BR
dc.identifier.eissn1097-458Xpt_BR
dc.identifier.doi10.1002/mrc.4885pt_BR
dc.identifier.urlhttps://onlinelibrary.wiley.com/doi/full/10.1002/mrc.4885pt_BR
dc.description.sponsorshipCNPQ - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipFACEPE - Fundação de Amparo à ciência E Tecnologia Do Estado De Pernambucopt_BR
dc.description.sponsorshipFAPESP – Fundação de Amparo à Pesquisa Do Estado De São Paulopt_BR
dc.description.sponsordocumentnumber426216/2018-0pt_BR
dc.description.sponsordocumentnumberAPQ-0507-1.06/15pt_BR
dc.description.sponsordocumentnumber2015/08541-6; 2016/24331-4pt_BR
dc.date.available2020-03-16T13:09:56Z-
dc.date.accessioned2020-03-16T13:09:56Z-
dc.description.provenanceSubmitted by Cintia Oliveira de Moura (cintiaom@unicamp.br) on 2020-03-16T13:09:56Z No. of bitstreams: 0. Added 1 bitstream(s) on 2020-11-11T13:13:43Z : No. of bitstreams: 1 000492751600006.pdf: 977494 bytes, checksum: 82cf9e4ac264564e40f049af15ada316 (MD5)en
dc.description.provenanceMade available in DSpace on 2020-03-16T13:09:56Z (GMT). No. of bitstreams: 0 Previous issue date: 2019en
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/336553-
dc.contributor.departmentsem informaçãopt_BR
dc.contributor.departmentDepartamento de Química Orgânicapt_BR
dc.contributor.unidadeInstituto de Químicapt_BR
dc.contributor.unidadeInstituto de Químicapt_BR
dc.subject.keywordKarplus-type equationpt_BR
dc.subject.keywordUnsaturated compoundspt_BR
dc.identifier.source492751600006pt_BR
dc.creator.orcid0000-0003-2593-0506pt_BR
dc.creator.orcid0000-0002-1508-0694pt_BR
dc.type.formArtigo de Pesquisapt_BR
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