Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II)
Ano de defesa: | 2009 |
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Autor(a) principal: | |
Orientador(a): | |
Banca de defesa: | , , , |
Tipo de documento: | Tese |
Tipo de acesso: | Acesso aberto |
Idioma: | por |
Instituição de defesa: |
Universidade Federal de Santa Maria
|
Programa de Pós-Graduação: |
Programa de Pós-Graduação em Química
|
Departamento: |
Química
|
País: |
BR
|
Palavras-chave em Português: | |
Palavras-chave em Inglês: | |
Área do conhecimento CNPq: | |
Link de acesso: | http://repositorio.ufsm.br/handle/1/4182 |
Resumo: | Triazenides ligands, strategically substituted by aril groups [ N=N N(H) ] chains and containing NO2, CF3 e F groups in different positions were evaluated in relation to the occurrence of intermolecular interactions through secondary non-covalent bonding. The research is based on the single crystal X-ray diffraction to analysis of arrangements performed in the solid state. This work presents the synthesis and the investigation of the crystalline and molecular structure of twelve new molecules in the literature: the pró-ligands 1-(3-nitrophenyl)-3-(2-fluorophenyl)triazene,1-(3-trifluorometilphenyl)-3-(3nitrophenyl)triazeno and 1,3-bis(3-trifluorometilphenyl)triazene, and the mononuclear complexes de Cu(I), Cu(II), Ni(II) e Pd(II), trans-bis[1-(3-nitrophenyl)-3-(2-fluorophenyl)triazenide]bis(amin) Copper(II) (1), trans-{bis[1(3-nitrophenyl)-3-(2-fluorophenyl)triazenide]bis(pyridina)Copper(II)}.Pyridina (2), bis[1,3-bis(3-trifluorometilphenyl)triazenide]bis(pyridina)Copper(II) (3), trans-{bis[1-(3-trifluorometilphenyl)-3-(3-nitrophenyl)triazenide]bis(pyridina)Copper(II)} (4), trans-{bis[1-(2-fluorophenyl)-3-(3-trifluorometilphenyl)triazenide]bis(pyridina)Copper(II)} (5), {[1,3-bis(3-nitrophenyl)triazenido] bis-(triphenylfosfine) Copper(I)}.THF (6), trans-bis[1(3-nitrophenyl)-3-(2-fluorophenyl) triazenide]bis(pyridina)Nickel(II) (7), bis[1,3-bis(4-fluorometil- phenyl)triazenide]bis(pyridina)Nickel(II) (8) e trans-bis[1-(3-nitrophenyl)-3-(2-fluorophenyl) triazenide] bis(pyridina)Palladium(II) (9). Beside the structural analysis the compounds were characterized by melting point and infrared spectroscopy. Additionally, all pre-ligands were characterized by nuclear magnetic resonance and ultraviolet-visible spectroscopies. The complex (1) by electronic paramagnetic resonance. Specifically the complex (7) and (8) were analyzed for their UV-visible electronic spectra, molecular modeling and semi-empirical calculations for the correlation of spectra. |
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2017-05-152017-05-152009-09-02CRESPAN, Estela dos Reis. Synthesis, properties and evaluation of the molecular autoassociation 1,3-diaryltriazenes and triazenides complexes containing Cu(I), Cu(II), Ni(II) e Pd(II). 2009. 192 f. Tese (Doutorado em Química) - Universidade Federal de Santa Maria, Santa Maria, 2009.http://repositorio.ufsm.br/handle/1/4182Triazenides ligands, strategically substituted by aril groups [ N=N N(H) ] chains and containing NO2, CF3 e F groups in different positions were evaluated in relation to the occurrence of intermolecular interactions through secondary non-covalent bonding. The research is based on the single crystal X-ray diffraction to analysis of arrangements performed in the solid state. This work presents the synthesis and the investigation of the crystalline and molecular structure of twelve new molecules in the literature: the pró-ligands 1-(3-nitrophenyl)-3-(2-fluorophenyl)triazene,1-(3-trifluorometilphenyl)-3-(3nitrophenyl)triazeno and 1,3-bis(3-trifluorometilphenyl)triazene, and the mononuclear complexes de Cu(I), Cu(II), Ni(II) e Pd(II), trans-bis[1-(3-nitrophenyl)-3-(2-fluorophenyl)triazenide]bis(amin) Copper(II) (1), trans-{bis[1(3-nitrophenyl)-3-(2-fluorophenyl)triazenide]bis(pyridina)Copper(II)}.Pyridina (2), bis[1,3-bis(3-trifluorometilphenyl)triazenide]bis(pyridina)Copper(II) (3), trans-{bis[1-(3-trifluorometilphenyl)-3-(3-nitrophenyl)triazenide]bis(pyridina)Copper(II)} (4), trans-{bis[1-(2-fluorophenyl)-3-(3-trifluorometilphenyl)triazenide]bis(pyridina)Copper(II)} (5), {[1,3-bis(3-nitrophenyl)triazenido] bis-(triphenylfosfine) Copper(I)}.THF (6), trans-bis[1(3-nitrophenyl)-3-(2-fluorophenyl) triazenide]bis(pyridina)Nickel(II) (7), bis[1,3-bis(4-fluorometil- phenyl)triazenide]bis(pyridina)Nickel(II) (8) e trans-bis[1-(3-nitrophenyl)-3-(2-fluorophenyl) triazenide] bis(pyridina)Palladium(II) (9). Beside the structural analysis the compounds were characterized by melting point and infrared spectroscopy. Additionally, all pre-ligands were characterized by nuclear magnetic resonance and ultraviolet-visible spectroscopies. The complex (1) by electronic paramagnetic resonance. Specifically the complex (7) and (8) were analyzed for their UV-visible electronic spectra, molecular modeling and semi-empirical calculations for the correlation of spectra.Ligantes triazenidos estrategicamente substituídos por grupos arilas terminais na cadeia diazoamínica [ N=N N(H) ] contendo os substituintes NO2, CF3 e F em diferentes posições foram avaliados quanto à ocorrência de interações intermoleculares através de ligações secundárias não covalentes. A investigação baseou-se principalmente na difração de raios-X em monocristal para analisar estruturalmente a formação de arranjos supramoleculares no estado sólido. Este trabalho apresenta a síntese e a investigação da estrutura cristalina e molecular de doze moléculas inéditas na literatura: os pré-ligantes 1-(3-nitrofenil)-3-(2-fluorofenil)triazeno, 1-(3-trifluorometilfenil)-3-(3-nitrofenil)triazeno e 1,3-bis(3-trifluorometilfenil)triazeno, e os complexos mononucleares de Cu(I), Cu(II), Ni(II) e Pd(II), trans-bis[1-(3-nitrofenil)-3-(2-fluorofenil)triazeni-do]bis(amin)Cobre(II)(1), trans-{bis[1(3-nitro- fenil)-3-(2-fluorofenil)triazenido]bis(piridina)Cobre(II)}.Piridina (2), bis[1,3-bis(3-trifluorometil- fenil)triazenido]bis(piridina)Cobre(II) (3), trans-{bis[1-(3-trifluorometilfenil)-3-(3-nitrofenil) triazenido]bis(piridina)Cobre(II)}(4), trans-{bis[1-(2-fluorofenil)-3-(3-trifluorometilfenil)triazeni- do]bis(piridina)Cobre(II)} (5), {[1,3-bis(3-nitrofenil)triazenido]bis-(trifenilfosfina) Cobre(I)}.THF (6), trans-bis[1(3-nitrofenil)-3-(2-fluorofenil)triazenido]bis(piridina)Níquel(II) (7), bis[1,3-bis(4-fluorometilfenil)triazenido]bis(piridina)Níquel(II) (8) e trans-bis[1-(3-nitrofenil)-3-(2-fluorofenil) triazenido] bis(piridina)paládio(II) (9). Além da análise estrutural cristalina e molecular por difração de raios-X em monocristal, os compostos foram caracterizados pelo ponto de fusão e a espectroscopia de infravermelho. Adicionalmente, todos os pré-ligantes foram caracterizados por ressonância magnética nuclear H1 e por espectroscopia do ultravioleta visível. O complexo (1) por ressonância paramagnética eletrônica. Especificamente os complexos (7) e (8) foram analisados quanto aos seus espectros eletrônicos ultravioleta-visível, modelagem molecular e cálculos semiempíricos para a correlação de espectros.Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorapplication/pdfporUniversidade Federal de Santa MariaPrograma de Pós-Graduação em QuímicaUFSMBRQuímicaComplexos triazenidosDifração de raios-XArranjos supramolecularesTriazenide complexesX-ray diffractionSupramolecular arrangementCNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICASíntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II)Synthesis, properties and evaluation of the molecular autoassociation 1,3-diaryltriazenes and triazenides complexes containing Cu(I), Cu(II), Ni(II) e Pd(II)info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/doctoralThesisHörner, Manfredohttp://lattes.cnpq.br/8922528250830998Mauro, Antonio Eduardohttp://lattes.cnpq.br/3300223970814448Nunes, Fabio Souzahttp://lattes.cnpq.br/7117607785614286Bortoluzzi, Adailton Joãohttp://lattes.cnpq.br/6445841478978597Villetti, Marcos Antoniohttp://lattes.cnpq.br/8504489050993642http://lattes.cnpq.br/5093731613842088Crespan, Estela dos Reis1006000000004003003003003003003007e7796b1-053d-4bbe-8e62-e769f0da5ceaac266275-e0c8-4eb7-8b15-a91c673f6608394a2f9b-ebbf-46b9-922a-bf51a956a1921d31e624-f12e-46f4-a13e-6fa5f0753caffc03c00f-74e7-4be8-a822-dee3420414a8976335ee-6ff1-421a-8ea3-1842fc5d372cinfo:eu-repo/semantics/openAccessreponame:Biblioteca Digital de Teses e Dissertações do UFSMinstname:Universidade Federal de Santa Maria (UFSM)instacron:UFSMORIGINALCRESPAN, ESTELA DOS REIS.pdfapplication/pdf8206670http://repositorio.ufsm.br/bitstream/1/4182/1/CRESPAN%2c%20ESTELA%20DOS%20REIS.pdf375ec3108e35cd3119d66e358f6dc9afMD51TEXTCRESPAN, ESTELA DOS REIS.pdf.txtCRESPAN, ESTELA DOS REIS.pdf.txtExtracted texttext/plain305009http://repositorio.ufsm.br/bitstream/1/4182/2/CRESPAN%2c%20ESTELA%20DOS%20REIS.pdf.txt0e52dbbb2cfbb002c41a71db6b026317MD52THUMBNAILCRESPAN, ESTELA DOS REIS.pdf.jpgCRESPAN, ESTELA DOS REIS.pdf.jpgIM Thumbnailimage/jpeg5838http://repositorio.ufsm.br/bitstream/1/4182/3/CRESPAN%2c%20ESTELA%20DOS%20REIS.pdf.jpg3a6de702378a8cbc13c4d248b29cd86dMD531/41822023-04-19 09:29:56.063oai:repositorio.ufsm.br:1/4182Biblioteca Digital de Teses e Dissertaçõeshttps://repositorio.ufsm.br/ONGhttps://repositorio.ufsm.br/oai/requestatendimento.sib@ufsm.br||tedebc@gmail.comopendoar:2023-04-19T12:29:56Biblioteca Digital de Teses e Dissertações do UFSM - Universidade Federal de Santa Maria (UFSM)false |
dc.title.por.fl_str_mv |
Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II) |
dc.title.alternative.eng.fl_str_mv |
Synthesis, properties and evaluation of the molecular autoassociation 1,3-diaryltriazenes and triazenides complexes containing Cu(I), Cu(II), Ni(II) e Pd(II) |
title |
Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II) |
spellingShingle |
Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II) Crespan, Estela dos Reis Complexos triazenidos Difração de raios-X Arranjos supramoleculares Triazenide complexes X-ray diffraction Supramolecular arrangement CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
title_short |
Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II) |
title_full |
Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II) |
title_fullStr |
Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II) |
title_full_unstemmed |
Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II) |
title_sort |
Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II) |
author |
Crespan, Estela dos Reis |
author_facet |
Crespan, Estela dos Reis |
author_role |
author |
dc.contributor.advisor1.fl_str_mv |
Hörner, Manfredo |
dc.contributor.advisor1Lattes.fl_str_mv |
http://lattes.cnpq.br/8922528250830998 |
dc.contributor.referee1.fl_str_mv |
Mauro, Antonio Eduardo |
dc.contributor.referee1Lattes.fl_str_mv |
http://lattes.cnpq.br/3300223970814448 |
dc.contributor.referee2.fl_str_mv |
Nunes, Fabio Souza |
dc.contributor.referee2Lattes.fl_str_mv |
http://lattes.cnpq.br/7117607785614286 |
dc.contributor.referee3.fl_str_mv |
Bortoluzzi, Adailton João |
dc.contributor.referee3Lattes.fl_str_mv |
http://lattes.cnpq.br/6445841478978597 |
dc.contributor.referee4.fl_str_mv |
Villetti, Marcos Antonio |
dc.contributor.referee4Lattes.fl_str_mv |
http://lattes.cnpq.br/8504489050993642 |
dc.contributor.authorLattes.fl_str_mv |
http://lattes.cnpq.br/5093731613842088 |
dc.contributor.author.fl_str_mv |
Crespan, Estela dos Reis |
contributor_str_mv |
Hörner, Manfredo Mauro, Antonio Eduardo Nunes, Fabio Souza Bortoluzzi, Adailton João Villetti, Marcos Antonio |
dc.subject.por.fl_str_mv |
Complexos triazenidos Difração de raios-X Arranjos supramoleculares |
topic |
Complexos triazenidos Difração de raios-X Arranjos supramoleculares Triazenide complexes X-ray diffraction Supramolecular arrangement CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
dc.subject.eng.fl_str_mv |
Triazenide complexes X-ray diffraction Supramolecular arrangement |
dc.subject.cnpq.fl_str_mv |
CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
description |
Triazenides ligands, strategically substituted by aril groups [ N=N N(H) ] chains and containing NO2, CF3 e F groups in different positions were evaluated in relation to the occurrence of intermolecular interactions through secondary non-covalent bonding. The research is based on the single crystal X-ray diffraction to analysis of arrangements performed in the solid state. This work presents the synthesis and the investigation of the crystalline and molecular structure of twelve new molecules in the literature: the pró-ligands 1-(3-nitrophenyl)-3-(2-fluorophenyl)triazene,1-(3-trifluorometilphenyl)-3-(3nitrophenyl)triazeno and 1,3-bis(3-trifluorometilphenyl)triazene, and the mononuclear complexes de Cu(I), Cu(II), Ni(II) e Pd(II), trans-bis[1-(3-nitrophenyl)-3-(2-fluorophenyl)triazenide]bis(amin) Copper(II) (1), trans-{bis[1(3-nitrophenyl)-3-(2-fluorophenyl)triazenide]bis(pyridina)Copper(II)}.Pyridina (2), bis[1,3-bis(3-trifluorometilphenyl)triazenide]bis(pyridina)Copper(II) (3), trans-{bis[1-(3-trifluorometilphenyl)-3-(3-nitrophenyl)triazenide]bis(pyridina)Copper(II)} (4), trans-{bis[1-(2-fluorophenyl)-3-(3-trifluorometilphenyl)triazenide]bis(pyridina)Copper(II)} (5), {[1,3-bis(3-nitrophenyl)triazenido] bis-(triphenylfosfine) Copper(I)}.THF (6), trans-bis[1(3-nitrophenyl)-3-(2-fluorophenyl) triazenide]bis(pyridina)Nickel(II) (7), bis[1,3-bis(4-fluorometil- phenyl)triazenide]bis(pyridina)Nickel(II) (8) e trans-bis[1-(3-nitrophenyl)-3-(2-fluorophenyl) triazenide] bis(pyridina)Palladium(II) (9). Beside the structural analysis the compounds were characterized by melting point and infrared spectroscopy. Additionally, all pre-ligands were characterized by nuclear magnetic resonance and ultraviolet-visible spectroscopies. The complex (1) by electronic paramagnetic resonance. Specifically the complex (7) and (8) were analyzed for their UV-visible electronic spectra, molecular modeling and semi-empirical calculations for the correlation of spectra. |
publishDate |
2009 |
dc.date.issued.fl_str_mv |
2009-09-02 |
dc.date.accessioned.fl_str_mv |
2017-05-15 |
dc.date.available.fl_str_mv |
2017-05-15 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/doctoralThesis |
format |
doctoralThesis |
status_str |
publishedVersion |
dc.identifier.citation.fl_str_mv |
CRESPAN, Estela dos Reis. Synthesis, properties and evaluation of the molecular autoassociation 1,3-diaryltriazenes and triazenides complexes containing Cu(I), Cu(II), Ni(II) e Pd(II). 2009. 192 f. Tese (Doutorado em Química) - Universidade Federal de Santa Maria, Santa Maria, 2009. |
dc.identifier.uri.fl_str_mv |
http://repositorio.ufsm.br/handle/1/4182 |
identifier_str_mv |
CRESPAN, Estela dos Reis. Synthesis, properties and evaluation of the molecular autoassociation 1,3-diaryltriazenes and triazenides complexes containing Cu(I), Cu(II), Ni(II) e Pd(II). 2009. 192 f. Tese (Doutorado em Química) - Universidade Federal de Santa Maria, Santa Maria, 2009. |
url |
http://repositorio.ufsm.br/handle/1/4182 |
dc.language.iso.fl_str_mv |
por |
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100600000000 |
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Universidade Federal de Santa Maria |
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Programa de Pós-Graduação em Química |
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UFSM |
dc.publisher.country.fl_str_mv |
BR |
dc.publisher.department.fl_str_mv |
Química |
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Universidade Federal de Santa Maria |
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