S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina

Detalhes bibliográficos
Autor(a) principal: Santos, Ana Cristina Souza dos
Data de Publicação: 1992
Tipo de documento: Dissertação
Idioma: por
Título da fonte: Biblioteca Digital de Teses e Dissertações da UFRRJ
Texto Completo: https://tede.ufrrj.br/jspui/handle/jspui/4156
Resumo: Mesoionic compounds are heterocycles with special structure. They are important mainly due to their potential biological activity. Eleven new coumpounds, not described in literature, were synthesized and characterized by IR, UV and particularly 13C NMR spectroscopie and mass spectrometry. Linear free energy relationships relating 13C Chemical Shifts and substituent constants (s) and using dual parameters sI, sR, ? and ? were also studied. The transmition of polar substituent effects by the Cinamoil group for C2 and C 5 in the mesoionic ring, was studied, showing that resonance is the more significant effect and that an extensive conjugation between the substituent group and the exocyclic-N of the mesoi?nic ring exists.
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spelling Lima, Aurea Echevarria Aznar Neveshttp://lattes.cnpq.br/4663575610102204Nascimento, Maria da Gra?aFantini, Edna CruzEchevarria, Aureahttp://lattes.cnpq.br/4663575610102204Santos, Ana Cristina Souza dos2020-11-18T13:56:41Z1992-03-27SANTOS, Ana Cristina Souza dos. S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina. 1992. 140 f. Disserta??o (Mestrado em Qu?mica) - Instituto de Ci?ncias Exatas, Universidade Federal Rural do Rio de Janeiro, Serop?dica - RJ, 1992.https://tede.ufrrj.br/jspui/handle/jspui/4156Mesoionic compounds are heterocycles with special structure. They are important mainly due to their potential biological activity. Eleven new coumpounds, not described in literature, were synthesized and characterized by IR, UV and particularly 13C NMR spectroscopie and mass spectrometry. Linear free energy relationships relating 13C Chemical Shifts and substituent constants (s) and using dual parameters sI, sR, ? and ? were also studied. The transmition of polar substituent effects by the Cinamoil group for C2 and C 5 in the mesoionic ring, was studied, showing that resonance is the more significant effect and that an extensive conjugation between the substituent group and the exocyclic-N of the mesoi?nic ring exists.Os compostos mesoi?nicos s?o heteroc?clicos dotados de estrutura n?o cl?ssica cuja s?ntese tem mostrado interesse principalmente por serem potencialmente ativos biologicamente. Sintetizamos uma s?rie de 11 novos derivados contendo grupamentos cinamoilas m- e p-substitu?dos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina, precursores dos correspondentes mesoi?nicos. Esses compostos n?o est?o descritos na literatura e foram caracterizados por espectroscopia de infravermelho, ultravioleta, RMN 1H e 13C e espectrometria de massa. Foram estudadas as rela??es lineares de energia livre considerando-se os deslocamentos qu?micos de RMN 13C contra as constantes dos substituintes (s) e os par?metros duais (sI, sR, ? e ?) Observou-se que os efeitos dos substituintes no anel arila do grupo cinamoila eram transmitidos atrav?s da liga??o homopolar aos carbonos C-2 e C-5 do anel mesoi?nico, sendo que o efeito de resson?ncia apresentava-se como mais significativo, evidenciando uma conjuga??o extendida do substituinte ao ?tomo de nitrog?nio exoc?clico ligado ao anel heteroc?clico. Observou-se tamb?m que os deslocamentos qu?mico dos carbonos C-a e C-b do grupamento cinamoila apresentaram boas correla??es com os efeitos dos substituintes, tanto nos compostos heteroc?clicos como nos ?cidos cin?micos; sendo que o efeito de resson?ncia foi mais significativo para o C-b e o indutivo para o C-a, conforme esperado.Submitted by Celso Magalhaes (celsomagalhaes@ufrrj.br) on 2020-11-18T13:56:41Z No. of bitstreams: 1 1992 - Viviane Rodrigues Braz.pdf: 1700996 bytes, checksum: e55e5994f75675d077b5c1ed6c5491c9 (MD5)Made available in DSpace on 2020-11-18T13:56:41Z (GMT). No. of bitstreams: 1 1992 - Viviane Rodrigues Braz.pdf: 1700996 bytes, checksum: e55e5994f75675d077b5c1ed6c5491c9 (MD5) Previous issue date: 1992-03-27Coordena??o e Aperfei?oamento de Pessoal de N?vel Superior - CAPESapplication/pdfhttps://tede.ufrrj.br/retrieve/63034/1992%20-%20Ana%20Cristina%20Souza%20dos%20Santos.pdf.jpgporUniversidade Federal Rural do Rio de JaneiroPrograma de P?s-Gradua??o em Qu?micaUFRRJBrasilInstituto de Ci?ncias ExatasQu?micaQu?micaS?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilaminainfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisinfo:eu-repo/semantics/openAccessreponame:Biblioteca Digital de Teses e Dissertações da UFRRJinstname:Universidade Federal Rural do Rio de Janeiro (UFRRJ)instacron:UFRRJTHUMBNAIL1992 - Ana Cristina Souza dos Santos.pdf.jpg1992 - Ana Cristina Souza dos Santos.pdf.jpgimage/jpeg1907http://localhost:8080/tede/bitstream/jspui/4156/4/1992+-+Ana+Cristina+Souza+dos+Santos.pdf.jpg71ebaa6bfcaf52f5746bd6b2383c41bdMD54TEXT1992 - Ana Cristina Souza dos Santos.pdf.txt1992 - Ana Cristina Souza dos Santos.pdf.txttext/plain90909http://localhost:8080/tede/bitstream/jspui/4156/3/1992+-+Ana+Cristina+Souza+dos+Santos.pdf.txt68d3e6f8d84b4dad198ae0cff27d79e7MD53ORIGINAL1992 - Ana Cristina Souza dos Santos.pdf1992 - Ana Cristina Souza dos Santos.pdfapplication/pdf1828995http://localhost:8080/tede/bitstream/jspui/4156/2/1992+-+Ana+Cristina+Souza+dos+Santos.pdff39c8c2832c9e438b69ad8cc9ec639a5MD52LICENSElicense.txtlicense.txttext/plain; charset=utf-82089http://localhost:8080/tede/bitstream/jspui/4156/1/license.txt7b5ba3d2445355f386edab96125d42b7MD51jspui/41562022-02-04 09:51:53.627oai:localhost:jspui/4156Tk9UQTogQ09MT1FVRSBBUVVJIEEgU1VBIFBSP1BSSUEgTElDRU4/QQpFc3RhIGxpY2VuP2EgZGUgZXhlbXBsbyA/IGZvcm5lY2lkYSBhcGVuYXMgcGFyYSBmaW5zIGluZm9ybWF0aXZvcy4KCkxJQ0VOP0EgREUgRElTVFJJQlVJPz9PIE4/Ty1FWENMVVNJVkEKCkNvbSBhIGFwcmVzZW50YT8/byBkZXN0YSBsaWNlbj9hLCB2b2M/IChvIGF1dG9yIChlcykgb3UgbyB0aXR1bGFyIGRvcyBkaXJlaXRvcyBkZSBhdXRvcikgY29uY2VkZSA/IFVuaXZlcnNpZGFkZSAKWFhYIChTaWdsYSBkYSBVbml2ZXJzaWRhZGUpIG8gZGlyZWl0byBuP28tZXhjbHVzaXZvIGRlIHJlcHJvZHV6aXIsICB0cmFkdXppciAoY29uZm9ybWUgZGVmaW5pZG8gYWJhaXhvKSwgZS9vdSAKZGlzdHJpYnVpciBhIHN1YSB0ZXNlIG91IGRpc3NlcnRhPz9vIChpbmNsdWluZG8gbyByZXN1bW8pIHBvciB0b2RvIG8gbXVuZG8gbm8gZm9ybWF0byBpbXByZXNzbyBlIGVsZXRyP25pY28gZSAKZW0gcXVhbHF1ZXIgbWVpbywgaW5jbHVpbmRvIG9zIGZvcm1hdG9zID91ZGlvIG91IHY/ZGVvLgoKVm9jPyBjb25jb3JkYSBxdWUgYSBTaWdsYSBkZSBVbml2ZXJzaWRhZGUgcG9kZSwgc2VtIGFsdGVyYXIgbyBjb250ZT9kbywgdHJhbnNwb3IgYSBzdWEgdGVzZSBvdSBkaXNzZXJ0YT8/byAKcGFyYSBxdWFscXVlciBtZWlvIG91IGZvcm1hdG8gcGFyYSBmaW5zIGRlIHByZXNlcnZhPz9vLgoKVm9jPyB0YW1iP20gY29uY29yZGEgcXVlIGEgU2lnbGEgZGUgVW5pdmVyc2lkYWRlIHBvZGUgbWFudGVyIG1haXMgZGUgdW1hIGM/cGlhIGEgc3VhIHRlc2Ugb3UgCmRpc3NlcnRhPz9vIHBhcmEgZmlucyBkZSBzZWd1cmFuP2EsIGJhY2stdXAgZSBwcmVzZXJ2YT8/by4KClZvYz8gZGVjbGFyYSBxdWUgYSBzdWEgdGVzZSBvdSBkaXNzZXJ0YT8/byA/IG9yaWdpbmFsIGUgcXVlIHZvYz8gdGVtIG8gcG9kZXIgZGUgY29uY2VkZXIgb3MgZGlyZWl0b3MgY29udGlkb3MgCm5lc3RhIGxpY2VuP2EuIFZvYz8gdGFtYj9tIGRlY2xhcmEgcXVlIG8gZGVwP3NpdG8gZGEgc3VhIHRlc2Ugb3UgZGlzc2VydGE/P28gbj9vLCBxdWUgc2VqYSBkZSBzZXUgCmNvbmhlY2ltZW50bywgaW5mcmluZ2UgZGlyZWl0b3MgYXV0b3JhaXMgZGUgbmluZ3U/bS4KCkNhc28gYSBzdWEgdGVzZSBvdSBkaXNzZXJ0YT8/byBjb250ZW5oYSBtYXRlcmlhbCBxdWUgdm9jPyBuP28gcG9zc3VpIGEgdGl0dWxhcmlkYWRlIGRvcyBkaXJlaXRvcyBhdXRvcmFpcywgdm9jPyAKZGVjbGFyYSBxdWUgb2J0ZXZlIGEgcGVybWlzcz9vIGlycmVzdHJpdGEgZG8gZGV0ZW50b3IgZG9zIGRpcmVpdG9zIGF1dG9yYWlzIHBhcmEgY29uY2VkZXIgPyBTaWdsYSBkZSBVbml2ZXJzaWRhZGUgCm9zIGRpcmVpdG9zIGFwcmVzZW50YWRvcyBuZXN0YSBsaWNlbj9hLCBlIHF1ZSBlc3NlIG1hdGVyaWFsIGRlIHByb3ByaWVkYWRlIGRlIHRlcmNlaXJvcyBlc3Q/IGNsYXJhbWVudGUgCmlkZW50aWZpY2FkbyBlIHJlY29uaGVjaWRvIG5vIHRleHRvIG91IG5vIGNvbnRlP2RvIGRhIHRlc2Ugb3UgZGlzc2VydGE/P28gb3JhIGRlcG9zaXRhZGEuCgpDQVNPIEEgVEVTRSBPVSBESVNTRVJUQT8/TyBPUkEgREVQT1NJVEFEQSBURU5IQSBTSURPIFJFU1VMVEFETyBERSBVTSBQQVRST0M/TklPIE9VIApBUE9JTyBERSBVTUEgQUc/TkNJQSBERSBGT01FTlRPIE9VIE9VVFJPIE9SR0FOSVNNTyBRVUUgTj9PIFNFSkEgQSBTSUdMQSBERSAKVU5JVkVSU0lEQURFLCBWT0M/IERFQ0xBUkEgUVVFIFJFU1BFSVRPVSBUT0RPUyBFIFFVQUlTUVVFUiBESVJFSVRPUyBERSBSRVZJUz9PIENPTU8gClRBTUI/TSBBUyBERU1BSVMgT0JSSUdBPz9FUyBFWElHSURBUyBQT1IgQ09OVFJBVE8gT1UgQUNPUkRPLgoKQSBTaWdsYSBkZSBVbml2ZXJzaWRhZGUgc2UgY29tcHJvbWV0ZSBhIGlkZW50aWZpY2FyIGNsYXJhbWVudGUgbyBzZXUgbm9tZSAocykgb3UgbyhzKSBub21lKHMpIGRvKHMpIApkZXRlbnRvcihlcykgZG9zIGRpcmVpdG9zIGF1dG9yYWlzIGRhIHRlc2Ugb3UgZGlzc2VydGE/P28sIGUgbj9vIGZhcj8gcXVhbHF1ZXIgYWx0ZXJhPz9vLCBhbD9tIGRhcXVlbGFzIApjb25jZWRpZGFzIHBvciBlc3RhIGxpY2VuP2EuCg==Biblioteca Digital de Teses e Dissertaçõeshttps://tede.ufrrj.br/PUBhttps://tede.ufrrj.br/oai/requestbibliot@ufrrj.br||bibliot@ufrrj.bropendoar:2022-02-04T11:51:53Biblioteca Digital de Teses e Dissertações da UFRRJ - Universidade Federal Rural do Rio de Janeiro (UFRRJ)false
dc.title.por.fl_str_mv S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina
title S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina
spellingShingle S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina
Santos, Ana Cristina Souza dos
Qu?mica
Qu?mica
title_short S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina
title_full S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina
title_fullStr S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina
title_full_unstemmed S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina
title_sort S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina
author Santos, Ana Cristina Souza dos
author_facet Santos, Ana Cristina Souza dos
author_role author
dc.contributor.advisor1.fl_str_mv Lima, Aurea Echevarria Aznar Neves
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/4663575610102204
dc.contributor.referee1.fl_str_mv Nascimento, Maria da Gra?a
dc.contributor.referee2.fl_str_mv Fantini, Edna Cruz
dc.contributor.referee3.fl_str_mv Echevarria, Aurea
dc.contributor.authorLattes.fl_str_mv http://lattes.cnpq.br/4663575610102204
dc.contributor.author.fl_str_mv Santos, Ana Cristina Souza dos
contributor_str_mv Lima, Aurea Echevarria Aznar Neves
Nascimento, Maria da Gra?a
Fantini, Edna Cruz
Echevarria, Aurea
dc.subject.por.fl_str_mv Qu?mica
topic Qu?mica
Qu?mica
dc.subject.cnpq.fl_str_mv Qu?mica
description Mesoionic compounds are heterocycles with special structure. They are important mainly due to their potential biological activity. Eleven new coumpounds, not described in literature, were synthesized and characterized by IR, UV and particularly 13C NMR spectroscopie and mass spectrometry. Linear free energy relationships relating 13C Chemical Shifts and substituent constants (s) and using dual parameters sI, sR, ? and ? were also studied. The transmition of polar substituent effects by the Cinamoil group for C2 and C 5 in the mesoionic ring, was studied, showing that resonance is the more significant effect and that an extensive conjugation between the substituent group and the exocyclic-N of the mesoi?nic ring exists.
publishDate 1992
dc.date.issued.fl_str_mv 1992-03-27
dc.date.accessioned.fl_str_mv 2020-11-18T13:56:41Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
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dc.identifier.citation.fl_str_mv SANTOS, Ana Cristina Souza dos. S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina. 1992. 140 f. Disserta??o (Mestrado em Qu?mica) - Instituto de Ci?ncias Exatas, Universidade Federal Rural do Rio de Janeiro, Serop?dica - RJ, 1992.
dc.identifier.uri.fl_str_mv https://tede.ufrrj.br/jspui/handle/jspui/4156
identifier_str_mv SANTOS, Ana Cristina Souza dos. S?ntese, espectroscopia e correla??es de energia livre de novos heteroc?clicos mesoi?nicos da classe dos 1,3,4-tiadiaz?lio-2-fenilamina. 1992. 140 f. Disserta??o (Mestrado em Qu?mica) - Instituto de Ci?ncias Exatas, Universidade Federal Rural do Rio de Janeiro, Serop?dica - RJ, 1992.
url https://tede.ufrrj.br/jspui/handle/jspui/4156
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dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.publisher.none.fl_str_mv Universidade Federal Rural do Rio de Janeiro
dc.publisher.program.fl_str_mv Programa de P?s-Gradua??o em Qu?mica
dc.publisher.initials.fl_str_mv UFRRJ
dc.publisher.country.fl_str_mv Brasil
dc.publisher.department.fl_str_mv Instituto de Ci?ncias Exatas
publisher.none.fl_str_mv Universidade Federal Rural do Rio de Janeiro
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