S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o

Detalhes bibliográficos
Ano de defesa: 2010
Autor(a) principal: Goulart, Carla Marins lattes
Orientador(a): Lima, Aurea Echevarria Aznar Neves lattes
Banca de defesa: Huitle, Carlos Alberto Martinez, Gomes, Jos? Antonio da Cunha Ponciano, Sant`Anna, Carlos Maur?cio Rabello de
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Federal Rural do Rio de Janeiro
Programa de Pós-Graduação: Programa de P?s-Gradua??o em Qu?mica
Departamento: Instituto de Ci?ncias Exatas
País: Brasil
Palavras-chave em Português:
inibidores org?nicos de corros?o
atividade anti-corros?o
Modelagem Molecular
Palavras-chave em Inglês:
organic corrosion inhibitors
anticorrosion activity
Molecular Modeling
Área do conhecimento CNPq:
Qu?mica
Link de acesso: https://tede.ufrrj.br/jspui/handle/jspui/2714
Resumo: In this dissertation 30 compounds were synthesized, 15 of them belonging to the class of semicarbazones and 15 others belonging to the class of thiosemicarbazones, in order to assess their efficiency as corrosion inhibitors. Previously, the compounds were analyzed by Molecular Modeling, yielding information about structural properties that affect the efficiency of inhibition. All compounds were obtained with satisfactory purity and good yields, ranging between 44 and 96% (semicarbazones) and 53 and 95% (thiosemicarbazones). All compounds were characterized by IR, and most were also characterized by 1H and /or 13C NMR. Seventeen compounds, 10 thiosemicarbazones and 7 semicarbazones, were tested by spectrophotometric assay with ferrozine to assess their potential chelation. The results showed that all compounds can act as corrosion inhibitors, since all competed with ferrozine for complexation of Fe2+ ion. Eight compounds were tested against the corrosion of carbon steel AISI 1020 in 0.5% HCl solution. For this assessment the electrochemical technique Potentiodynamic Polarization was used. The results showed excellent percentages of corrosion inhibition, reaching a rate of 96.4% efficiency at the highest concentration, obtained for the compound p-hydroxy-m-methoxybenzaldehyde thiosemicarbazone. All assessment methodologies used (Molecular Modeling, potential chelating and Potentiodynamic Polarization) indicated the thiosemicarbazones as corrosion inhibitors more potent in comparison with the similar structure of semicarbazones. The experimental results, in all cases, confirmed the theoretical results previously obtained.
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spelling Lima, Aurea Echevarria Aznar Neves668.742.388-68http://lattes.cnpq.br/1879077396134052Huitle, Carlos Alberto MartinezGomes, Jos? Antonio da Cunha PoncianoSant`Anna, Carlos Maur?cio Rabello de109843077-88http://lattes.cnpq.br/5064328071281054Goulart, Carla Marins2019-05-23T14:20:30Z2010-10-15GOULART, Carla Marins. S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o. 2010. 143 f. Disserta??o (Mestrado em Qu?mica) - Instituto de Ci?ncias Exatas, Universidade Federal Rural do Rio de Janeiro, Serop?dica, 2010.https://tede.ufrrj.br/jspui/handle/jspui/2714In this dissertation 30 compounds were synthesized, 15 of them belonging to the class of semicarbazones and 15 others belonging to the class of thiosemicarbazones, in order to assess their efficiency as corrosion inhibitors. Previously, the compounds were analyzed by Molecular Modeling, yielding information about structural properties that affect the efficiency of inhibition. All compounds were obtained with satisfactory purity and good yields, ranging between 44 and 96% (semicarbazones) and 53 and 95% (thiosemicarbazones). All compounds were characterized by IR, and most were also characterized by 1H and /or 13C NMR. Seventeen compounds, 10 thiosemicarbazones and 7 semicarbazones, were tested by spectrophotometric assay with ferrozine to assess their potential chelation. The results showed that all compounds can act as corrosion inhibitors, since all competed with ferrozine for complexation of Fe2+ ion. Eight compounds were tested against the corrosion of carbon steel AISI 1020 in 0.5% HCl solution. For this assessment the electrochemical technique Potentiodynamic Polarization was used. The results showed excellent percentages of corrosion inhibition, reaching a rate of 96.4% efficiency at the highest concentration, obtained for the compound p-hydroxy-m-methoxybenzaldehyde thiosemicarbazone. All assessment methodologies used (Molecular Modeling, potential chelating and Potentiodynamic Polarization) indicated the thiosemicarbazones as corrosion inhibitors more potent in comparison with the similar structure of semicarbazones. The experimental results, in all cases, confirmed the theoretical results previously obtained.Nesta Disserta??o foram sintetizados 30 compostos, sendo 15 pertencentes ? classe das semicarbazonas e os outros 15 pertencentes ? classe das tiossemicarbazonas, com o objetivo de avaliar a efici?ncia dos mesmos como inibidores de corros?o. Os compostos foram previamente analisados por Modelagem Molecular, obtendo-se informa??es a respeito de propriedades estruturais que afetam a efici?ncia de inibi??o. Todos os compostos foram obtidos com grau de pureza satisfat?rio e com bons rendimentos, variando entre 44 e 96% (semicarbazonas) e 53 e 95% (tiossemicarbazonas). Todos os compostos foram caracterizados por Infravermelho e, a maioria foi caracterizada tamb?m por RMN de 1H e/ou 13C. Dezessete compostos, sendo 10 tiossemicarbazonas e 7 semicarbazonas, foram testados atrav?s do ensaio espectrofotom?trico com ferrozine, para avalia??o do potencial quelante. Os resultados obtidos mostraram que todos os compostos podem atuar como inibidores de corros?o, visto que todos competiram com o ferrozine pela complexa??o do ?on Fe2+. Oito compostos foram testados frente ? corros?o de a?o carbono AISI 1020 em solu??o 0,5% HCl. Para tal avalia??o foi utilizada a t?cnica eletroqu?mica de Polariza??o Potenciodin?mica. Os resultados mostraram excelentes percentuais de inibi??o da corros?o, alcan?ando o ?ndice de 96,4 % de efici?ncia na maior concentra??o, obtida para o composto p-hidroxi-m-metoxibenzalde?do tiossemicarbazona. Todas as metodologias de avalia??o utilizadas (Modelagem Molecular, potencial quelante e Polariza??o Potenciodin?mica) indicaram as tiossemicarbazonas como inibidores de corros?o mais potentes, em compara??o com as semicarbazonas de estrutura an?loga. Os resultados experimentais, em todos os casos, confirmaram os resultados te?ricos previamente obtidos.Submitted by Sandra Pereira (srpereira@ufrrj.br) on 2019-05-23T14:20:30Z No. of bitstreams: 1 2010 - Carla Marins Goulart.pdf: 2125953 bytes, checksum: 64ded20dabf8f784ac1a576451522b3a (MD5)Made available in DSpace on 2019-05-23T14:20:30Z (GMT). No. of bitstreams: 1 2010 - Carla Marins Goulart.pdf: 2125953 bytes, checksum: 64ded20dabf8f784ac1a576451522b3a (MD5) Previous issue date: 2010-10-15Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior - CAPES, Brasil.application/pdfhttps://tede.ufrrj.br/retrieve/9880/2010%20-%20Carla%20Marins%20Goulart.pdf.jpghttps://tede.ufrrj.br/retrieve/16086/2010%20-%20Carla%20Marins%20Goulart.pdf.jpghttps://tede.ufrrj.br/retrieve/22398/2010%20-%20Carla%20Marins%20Goulart.pdf.jpghttps://tede.ufrrj.br/retrieve/28770/2010%20-%20Carla%20Marins%20Goulart.pdf.jpghttps://tede.ufrrj.br/retrieve/34694/2010%20-%20Carla%20Marins%20Goulart.pdf.jpghttps://tede.ufrrj.br/retrieve/41056/2010%20-%20Carla%20Marins%20Goulart.pdf.jpghttps://tede.ufrrj.br/retrieve/47462/2010%20-%20Carla%20Marins%20Goulart.pdf.jpghttps://tede.ufrrj.br/retrieve/53864/2010%20-%20Carla%20Marins%20Goulart.pdf.jpgporUniversidade Federal Rural do Rio de JaneiroPrograma de P?s-Gradua??o em Qu?micaUFRRJBrasilInstituto de Ci?ncias ExatasARAB, S. 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dc.title.por.fl_str_mv S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o
dc.title.alternative.eng.fl_str_mv Synthesis of (Thio) semicarbazones and experimental and theoretical evaluation of anti-corrosion activity
title S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o
spellingShingle S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o
Goulart, Carla Marins
inibidores org?nicos de corros?o
atividade anti-corros?o
Modelagem Molecular
organic corrosion inhibitors
anticorrosion activity
Molecular Modeling
Qu?mica
title_short S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o
title_full S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o
title_fullStr S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o
title_full_unstemmed S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o
title_sort S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o
author Goulart, Carla Marins
author_facet Goulart, Carla Marins
author_role author
dc.contributor.advisor1.fl_str_mv Lima, Aurea Echevarria Aznar Neves
dc.contributor.advisor1ID.fl_str_mv 668.742.388-68
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/1879077396134052
dc.contributor.referee1.fl_str_mv Huitle, Carlos Alberto Martinez
dc.contributor.referee2.fl_str_mv Gomes, Jos? Antonio da Cunha Ponciano
dc.contributor.referee3.fl_str_mv Sant`Anna, Carlos Maur?cio Rabello de
dc.contributor.authorID.fl_str_mv 109843077-88
dc.contributor.authorLattes.fl_str_mv http://lattes.cnpq.br/5064328071281054
dc.contributor.author.fl_str_mv Goulart, Carla Marins
contributor_str_mv Lima, Aurea Echevarria Aznar Neves
Huitle, Carlos Alberto Martinez
Gomes, Jos? Antonio da Cunha Ponciano
Sant`Anna, Carlos Maur?cio Rabello de
dc.subject.por.fl_str_mv inibidores org?nicos de corros?o
atividade anti-corros?o
Modelagem Molecular
topic inibidores org?nicos de corros?o
atividade anti-corros?o
Modelagem Molecular
organic corrosion inhibitors
anticorrosion activity
Molecular Modeling
Qu?mica
dc.subject.eng.fl_str_mv organic corrosion inhibitors
anticorrosion activity
Molecular Modeling
dc.subject.cnpq.fl_str_mv Qu?mica
description In this dissertation 30 compounds were synthesized, 15 of them belonging to the class of semicarbazones and 15 others belonging to the class of thiosemicarbazones, in order to assess their efficiency as corrosion inhibitors. Previously, the compounds were analyzed by Molecular Modeling, yielding information about structural properties that affect the efficiency of inhibition. All compounds were obtained with satisfactory purity and good yields, ranging between 44 and 96% (semicarbazones) and 53 and 95% (thiosemicarbazones). All compounds were characterized by IR, and most were also characterized by 1H and /or 13C NMR. Seventeen compounds, 10 thiosemicarbazones and 7 semicarbazones, were tested by spectrophotometric assay with ferrozine to assess their potential chelation. The results showed that all compounds can act as corrosion inhibitors, since all competed with ferrozine for complexation of Fe2+ ion. Eight compounds were tested against the corrosion of carbon steel AISI 1020 in 0.5% HCl solution. For this assessment the electrochemical technique Potentiodynamic Polarization was used. The results showed excellent percentages of corrosion inhibition, reaching a rate of 96.4% efficiency at the highest concentration, obtained for the compound p-hydroxy-m-methoxybenzaldehyde thiosemicarbazone. All assessment methodologies used (Molecular Modeling, potential chelating and Potentiodynamic Polarization) indicated the thiosemicarbazones as corrosion inhibitors more potent in comparison with the similar structure of semicarbazones. The experimental results, in all cases, confirmed the theoretical results previously obtained.
publishDate 2010
dc.date.issued.fl_str_mv 2010-10-15
dc.date.accessioned.fl_str_mv 2019-05-23T14:20:30Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/masterThesis
format masterThesis
status_str publishedVersion
dc.identifier.citation.fl_str_mv GOULART, Carla Marins. S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o. 2010. 143 f. Disserta??o (Mestrado em Qu?mica) - Instituto de Ci?ncias Exatas, Universidade Federal Rural do Rio de Janeiro, Serop?dica, 2010.
dc.identifier.uri.fl_str_mv https://tede.ufrrj.br/jspui/handle/jspui/2714
identifier_str_mv GOULART, Carla Marins. S?ntese de (Tio)semicarbazonas e avalia??o experimental e te?rica da atividade anti-corros?o. 2010. 143 f. Disserta??o (Mestrado em Qu?mica) - Instituto de Ci?ncias Exatas, Universidade Federal Rural do Rio de Janeiro, Serop?dica, 2010.
url https://tede.ufrrj.br/jspui/handle/jspui/2714
dc.language.iso.fl_str_mv por
language por
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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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