Síntese, propriedades e avaliação da autoassociação molecular de 1,3-diariltriazenos e complexos triazenidos de Cu(I), Cu(II), Ni(II) e Pd(II)

Detalhes bibliográficos
Ano de defesa: 2009
Autor(a) principal: Crespan, Estela dos Reis lattes
Orientador(a): Hörner, Manfredo lattes
Banca de defesa: Mauro, Antonio Eduardo lattes, Nunes, Fabio Souza lattes, Bortoluzzi, Adailton João lattes, Villetti, Marcos Antonio lattes
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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spelling 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:Manancial - Repositório Digital da 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:1/4182Repositório Institucionalhttp://repositorio.ufsm.br/PUBhttp://repositorio.ufsm.br/oai/requestopendoar:39132023-04-19T12:29:56Manancial - Repositório Digital da 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
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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.
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