Novos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estrutural
Ano de defesa: | 2016 |
---|---|
Autor(a) principal: | |
Orientador(a): | |
Banca de defesa: | , |
Tipo de documento: | Dissertação |
Tipo de acesso: | Acesso aberto |
Idioma: | por |
Instituição de defesa: |
Universidade Federal de Santa Maria
Centro de Ciências Naturais e Exatas |
Programa de Pós-Graduação: |
Programa de Pós-Graduação em Química
|
Departamento: |
Química
|
País: |
Brasil
|
Palavras-chave em Português: | |
Palavras-chave em Inglês: | |
Área do conhecimento CNPq: | |
Link de acesso: | http://repositorio.ufsm.br/handle/1/28343 |
Resumo: | This work describes the synthesis and structural characterization of six new palladium(II) chalcogenolates derivatives containing [Pd2(-ER)2] core. These six compounds were characterized by single crystal X-ray diffraction and complementary methods as well. In order to get intermolecular Pd∙∙∙Pd interactions, it was planned the rational synthesis of these compounds by oxidative addition reactions of palladium(II) with organic dichalcogenides; and ligands substitution reactions. For this reason, it was explored the use of mercury chalcogenolates [Hg(ER)2] and organic dichalcogenides [(ER)2], where E = Se, Te and R = aryl, with palladium(II) halides and phosphine, bipyridine or phenanthroline ligands. The ligands substitution reactions using Hg{Te((2,6-OCH3)2C6H3)}2, palladium(II) halides and phosphine, bipyridine or phenanthroline ligands led to compounds 1, 3 and 4. The oxidative addition reaction of PdI2 by {Te((2,6-OCH3)2C6H3)}2, using PCy3, led to the formation of compound 2, and compounds 5 and 6 were formed by the ligands substitution reactions using Hg(SePh)2, palladium(II) halides and phosphine, bipyridine or phenanthroline ligands. It was observed that sterically hindered ligands avoided intermolecular Pd∙∙∙Pd interactions (compounds 1-4) while sterically unhindered ligands led to these contacts (compounds 5 and 6). The optical band gap of compounds 1-6 was calculated, in order to evaluate the optical properties and possible applications on the field of material science. |
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2023-03-23T12:07:10Z2023-03-23T12:07:10Z2016-02-26http://repositorio.ufsm.br/handle/1/28343This work describes the synthesis and structural characterization of six new palladium(II) chalcogenolates derivatives containing [Pd2(-ER)2] core. These six compounds were characterized by single crystal X-ray diffraction and complementary methods as well. In order to get intermolecular Pd∙∙∙Pd interactions, it was planned the rational synthesis of these compounds by oxidative addition reactions of palladium(II) with organic dichalcogenides; and ligands substitution reactions. For this reason, it was explored the use of mercury chalcogenolates [Hg(ER)2] and organic dichalcogenides [(ER)2], where E = Se, Te and R = aryl, with palladium(II) halides and phosphine, bipyridine or phenanthroline ligands. The ligands substitution reactions using Hg{Te((2,6-OCH3)2C6H3)}2, palladium(II) halides and phosphine, bipyridine or phenanthroline ligands led to compounds 1, 3 and 4. The oxidative addition reaction of PdI2 by {Te((2,6-OCH3)2C6H3)}2, using PCy3, led to the formation of compound 2, and compounds 5 and 6 were formed by the ligands substitution reactions using Hg(SePh)2, palladium(II) halides and phosphine, bipyridine or phenanthroline ligands. It was observed that sterically hindered ligands avoided intermolecular Pd∙∙∙Pd interactions (compounds 1-4) while sterically unhindered ligands led to these contacts (compounds 5 and 6). The optical band gap of compounds 1-6 was calculated, in order to evaluate the optical properties and possible applications on the field of material science.Este trabalho descreve a síntese e caracterização estrutural de seis novos compostos derivados de calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]. Os seis compostos obtidos foram caracterizados por análise de difração de raios X em monocristal, além de outros métodos de caracterização. Planejou-se a síntese racional destes compostos, a partir de reações de adição oxidativa de paládio(II) a dicalcogenetos orgânicos e reações de substituição de ligantes, com a finalidade de obter interações intermoleculares Pd∙∙∙Pd. Para isto, investigou-se a utilização de calcogenolatos de mercúrio [Hg(ER)2] e dicalcogenetos orgânicos [(ER)2], onde E = Se, Te e R = aril, frente à haletos de paládio(II) e ligantes fosfina, bipiridina ou fenantrolina. As reações de substituição de ligantes utilizando Hg{Te((2,6-OCH3)2C6H3)}2, haletos de paládio(II) e ligantes fosfina, bipiridina ou fenantrolina levaram à formação dos compostos 1, 3 e 4. A adição oxidativa de {Te((2,6-OCH3)2C6H3)}2 à PdI2, utilizando PCy3, levou à formação do composto 2, e as reações de substituição de ligantes utilizando Hg(SePh)2, haletos de paládio(II) e bipiridina ou fenantrolina levaram à formação dos compostos 5 e 6. Observou-se que ligantes estericamente impedidos impossibilitaram a obtenção de interações intermoleculares Pd∙∙∙Pd (compostos 1-4) e ligantes estericamente desimpedidos possibilitaram essas interações (compostos 5 e 6). Calculou-se o band gap óptico dos compostos 1-6, visando à elucidação das propriedades ópticas e possíveis aplicações no ramo da ciência dos materiais.Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPESporUniversidade Federal de Santa MariaCentro de Ciências Naturais e ExatasPrograma de Pós-Graduação em QuímicaUFSMBrasilQuímicaAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessCalcogenolatos de paládio(II)Adição oxidativaInterações Pd∙∙∙PdDifração de raios XBand gapPalladium(II) chalcogenolatesOxidative additionPd∙∙∙Pd interactionsX-ray diffractionBand gapCNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICANovos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estruturalNew palladium(II) chalcogenolates containing [Pd2(-ER)2] core: synthesis and structural characterizationinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisLang, Ernesto Schulzhttp://lattes.cnpq.br/4481982189769819Gregório, José RibeiroBack, Davi Fernandohttp://lattes.cnpq.br/2263468025844725Cechin, Camila Nunes1006000000006006006006006000c9d7568-d5c4-466d-b807-0125a7d37b9746db7329-853a-4e62-bbb2-fd908063c19ca8158d79-5f84-4467-9d37-163be44b7d19f33f5bf0-5193-4fac-992b-192381823da8reponame:Manancial - Repositório Digital da UFSMinstname:Universidade Federal de Santa Maria (UFSM)instacron:UFSMCC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8805http://repositorio.ufsm.br/bitstream/1/28343/2/license_rdf4460e5956bc1d1639be9ae6146a50347MD52ORIGINALDIS_PPGQUÍMICA_2016_CECHIN_CAMILA.pdfDIS_PPGQUÍMICA_2016_CECHIN_CAMILA.pdfDissertação de mestradoapplication/pdf3787979http://repositorio.ufsm.br/bitstream/1/28343/1/DIS_PPGQU%c3%8dMICA_2016_CECHIN_CAMILA.pdfc66aa0a95fc69476512093b0ed2e1781MD51LICENSElicense.txtlicense.txttext/plain; charset=utf-81956http://repositorio.ufsm.br/bitstream/1/28343/3/license.txt2f0571ecee68693bd5cd3f17c1e075dfMD531/283432023-03-23 09:07:10.799oai:repositorio.ufsm.br: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ório Institucionalhttp://repositorio.ufsm.br/PUBhttp://repositorio.ufsm.br/oai/requestopendoar:39132023-03-23T12:07:10Manancial - Repositório Digital da UFSM - Universidade Federal de Santa Maria (UFSM)false |
dc.title.por.fl_str_mv |
Novos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estrutural |
dc.title.alternative.eng.fl_str_mv |
New palladium(II) chalcogenolates containing [Pd2(-ER)2] core: synthesis and structural characterization |
title |
Novos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estrutural |
spellingShingle |
Novos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estrutural Cechin, Camila Nunes Calcogenolatos de paládio(II) Adição oxidativa Interações Pd∙∙∙Pd Difração de raios X Band gap Palladium(II) chalcogenolates Oxidative addition Pd∙∙∙Pd interactions X-ray diffraction Band gap CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
title_short |
Novos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estrutural |
title_full |
Novos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estrutural |
title_fullStr |
Novos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estrutural |
title_full_unstemmed |
Novos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estrutural |
title_sort |
Novos calcogenolatos de paládio(II) contendo núcleo [Pd2(-ER)2]: síntese e caracterização estrutural |
author |
Cechin, Camila Nunes |
author_facet |
Cechin, Camila Nunes |
author_role |
author |
dc.contributor.advisor1.fl_str_mv |
Lang, Ernesto Schulz |
dc.contributor.advisor1Lattes.fl_str_mv |
http://lattes.cnpq.br/4481982189769819 |
dc.contributor.referee1.fl_str_mv |
Gregório, José Ribeiro |
dc.contributor.referee2.fl_str_mv |
Back, Davi Fernando |
dc.contributor.authorLattes.fl_str_mv |
http://lattes.cnpq.br/2263468025844725 |
dc.contributor.author.fl_str_mv |
Cechin, Camila Nunes |
contributor_str_mv |
Lang, Ernesto Schulz Gregório, José Ribeiro Back, Davi Fernando |
dc.subject.por.fl_str_mv |
Calcogenolatos de paládio(II) Adição oxidativa Interações Pd∙∙∙Pd Difração de raios X Band gap |
topic |
Calcogenolatos de paládio(II) Adição oxidativa Interações Pd∙∙∙Pd Difração de raios X Band gap Palladium(II) chalcogenolates Oxidative addition Pd∙∙∙Pd interactions X-ray diffraction Band gap CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
dc.subject.eng.fl_str_mv |
Palladium(II) chalcogenolates Oxidative addition Pd∙∙∙Pd interactions X-ray diffraction Band gap |
dc.subject.cnpq.fl_str_mv |
CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
description |
This work describes the synthesis and structural characterization of six new palladium(II) chalcogenolates derivatives containing [Pd2(-ER)2] core. These six compounds were characterized by single crystal X-ray diffraction and complementary methods as well. In order to get intermolecular Pd∙∙∙Pd interactions, it was planned the rational synthesis of these compounds by oxidative addition reactions of palladium(II) with organic dichalcogenides; and ligands substitution reactions. For this reason, it was explored the use of mercury chalcogenolates [Hg(ER)2] and organic dichalcogenides [(ER)2], where E = Se, Te and R = aryl, with palladium(II) halides and phosphine, bipyridine or phenanthroline ligands. The ligands substitution reactions using Hg{Te((2,6-OCH3)2C6H3)}2, palladium(II) halides and phosphine, bipyridine or phenanthroline ligands led to compounds 1, 3 and 4. The oxidative addition reaction of PdI2 by {Te((2,6-OCH3)2C6H3)}2, using PCy3, led to the formation of compound 2, and compounds 5 and 6 were formed by the ligands substitution reactions using Hg(SePh)2, palladium(II) halides and phosphine, bipyridine or phenanthroline ligands. It was observed that sterically hindered ligands avoided intermolecular Pd∙∙∙Pd interactions (compounds 1-4) while sterically unhindered ligands led to these contacts (compounds 5 and 6). The optical band gap of compounds 1-6 was calculated, in order to evaluate the optical properties and possible applications on the field of material science. |
publishDate |
2016 |
dc.date.issued.fl_str_mv |
2016-02-26 |
dc.date.accessioned.fl_str_mv |
2023-03-23T12:07:10Z |
dc.date.available.fl_str_mv |
2023-03-23T12:07:10Z |
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.uri.fl_str_mv |
http://repositorio.ufsm.br/handle/1/28343 |
url |
http://repositorio.ufsm.br/handle/1/28343 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.cnpq.fl_str_mv |
100600000000 |
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600 600 600 600 600 |
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Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess |
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Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ |
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openAccess |
dc.publisher.none.fl_str_mv |
Universidade Federal de Santa Maria Centro de Ciências Naturais e Exatas |
dc.publisher.program.fl_str_mv |
Programa de Pós-Graduação em Química |
dc.publisher.initials.fl_str_mv |
UFSM |
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Brasil |
dc.publisher.department.fl_str_mv |
Química |
publisher.none.fl_str_mv |
Universidade Federal de Santa Maria Centro de Ciências Naturais e Exatas |
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