Flavone complexes of Ti and Zr active in ethylene polymerization
Autor(a) principal: | |
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Data de Publicação: | 2013 |
Outros Autores: | , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRGS |
Texto Completo: | http://hdl.handle.net/10183/83600 |
Resumo: | Two new complexes of Ti and Zr were synthesized with 3-hydroxyflavone bidentate ligand and investi-gated in homogeneous ethylene polymerization. Both complexes were characterized by UV–VIS,1H and13C NMR, and electrochemical studies. The geometries and energies of all possible isomeric species werestudied by full unconstrained optimizations performed at Density Functional Theory (DFT) level. Thepolymerization reactions were performed at different experimental conditions with methylaluminox-ane (MAO), as the cocatalyst. Both complexes were active in ethylene polymerization in all the conditionsused. However, zirconium complex showed the best activity comparing to the titanium complex at 2500Al/M ratio. The polymers obtained were high density polyethylene with ultra high molecular weights. |
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Gheno, GrasielaBasso, Nara Regina de SouzaCeschi, Marco AntonioLivotto, Paolo RobertoNascimento, Alanjone AzevedoRocha, Zênis Novais daGalland, Griselda Ligia Barrera2013-12-12T01:49:59Z20130926-860Xhttp://hdl.handle.net/10183/83600000902108Two new complexes of Ti and Zr were synthesized with 3-hydroxyflavone bidentate ligand and investi-gated in homogeneous ethylene polymerization. Both complexes were characterized by UV–VIS,1H and13C NMR, and electrochemical studies. The geometries and energies of all possible isomeric species werestudied by full unconstrained optimizations performed at Density Functional Theory (DFT) level. Thepolymerization reactions were performed at different experimental conditions with methylaluminox-ane (MAO), as the cocatalyst. Both complexes were active in ethylene polymerization in all the conditionsused. However, zirconium complex showed the best activity comparing to the titanium complex at 2500Al/M ratio. The polymers obtained were high density polyethylene with ultra high molecular weights.application/pdfengApplied Catalysis A: general. Amsterdam. Vol. 467, no. 2 (Oct. 2013), p. 439-449PolímerosPolietilenoPolimerizaçãoSynthesisComplex3-HydroxyflavoneCatalystPolyethyleneFlavone complexes of Ti and Zr active in ethylene polymerizationEstrangeiroinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSORIGINAL000902108.pdf000902108.pdfTexto completo (inglês)application/pdf2140100http://www.lume.ufrgs.br/bitstream/10183/83600/1/000902108.pdfd0d964e7a0dea4cf2fb9fed25acf066fMD51TEXT000902108.pdf.txt000902108.pdf.txtExtracted Texttext/plain38086http://www.lume.ufrgs.br/bitstream/10183/83600/2/000902108.pdf.txte3852530079de48d7c8354d31b60e2adMD52THUMBNAIL000902108.pdf.jpg000902108.pdf.jpgGenerated Thumbnailimage/jpeg2203http://www.lume.ufrgs.br/bitstream/10183/83600/3/000902108.pdf.jpg66b4eb6c3cc55a45a5a720a8c1e1e721MD5310183/836002018-10-09 08:46:02.238oai:www.lume.ufrgs.br:10183/83600Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2018-10-09T11:46:02Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false |
dc.title.pt_BR.fl_str_mv |
Flavone complexes of Ti and Zr active in ethylene polymerization |
title |
Flavone complexes of Ti and Zr active in ethylene polymerization |
spellingShingle |
Flavone complexes of Ti and Zr active in ethylene polymerization Gheno, Grasiela Polímeros Polietileno Polimerização Synthesis Complex 3-Hydroxyflavone Catalyst Polyethylene |
title_short |
Flavone complexes of Ti and Zr active in ethylene polymerization |
title_full |
Flavone complexes of Ti and Zr active in ethylene polymerization |
title_fullStr |
Flavone complexes of Ti and Zr active in ethylene polymerization |
title_full_unstemmed |
Flavone complexes of Ti and Zr active in ethylene polymerization |
title_sort |
Flavone complexes of Ti and Zr active in ethylene polymerization |
author |
Gheno, Grasiela |
author_facet |
Gheno, Grasiela Basso, Nara Regina de Souza Ceschi, Marco Antonio Livotto, Paolo Roberto Nascimento, Alanjone Azevedo Rocha, Zênis Novais da Galland, Griselda Ligia Barrera |
author_role |
author |
author2 |
Basso, Nara Regina de Souza Ceschi, Marco Antonio Livotto, Paolo Roberto Nascimento, Alanjone Azevedo Rocha, Zênis Novais da Galland, Griselda Ligia Barrera |
author2_role |
author author author author author author |
dc.contributor.author.fl_str_mv |
Gheno, Grasiela Basso, Nara Regina de Souza Ceschi, Marco Antonio Livotto, Paolo Roberto Nascimento, Alanjone Azevedo Rocha, Zênis Novais da Galland, Griselda Ligia Barrera |
dc.subject.por.fl_str_mv |
Polímeros Polietileno Polimerização |
topic |
Polímeros Polietileno Polimerização Synthesis Complex 3-Hydroxyflavone Catalyst Polyethylene |
dc.subject.eng.fl_str_mv |
Synthesis Complex 3-Hydroxyflavone Catalyst Polyethylene |
description |
Two new complexes of Ti and Zr were synthesized with 3-hydroxyflavone bidentate ligand and investi-gated in homogeneous ethylene polymerization. Both complexes were characterized by UV–VIS,1H and13C NMR, and electrochemical studies. The geometries and energies of all possible isomeric species werestudied by full unconstrained optimizations performed at Density Functional Theory (DFT) level. Thepolymerization reactions were performed at different experimental conditions with methylaluminox-ane (MAO), as the cocatalyst. Both complexes were active in ethylene polymerization in all the conditionsused. However, zirconium complex showed the best activity comparing to the titanium complex at 2500Al/M ratio. The polymers obtained were high density polyethylene with ultra high molecular weights. |
publishDate |
2013 |
dc.date.accessioned.fl_str_mv |
2013-12-12T01:49:59Z |
dc.date.issued.fl_str_mv |
2013 |
dc.type.driver.fl_str_mv |
Estrangeiro info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10183/83600 |
dc.identifier.issn.pt_BR.fl_str_mv |
0926-860X |
dc.identifier.nrb.pt_BR.fl_str_mv |
000902108 |
identifier_str_mv |
0926-860X 000902108 |
url |
http://hdl.handle.net/10183/83600 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.ispartof.pt_BR.fl_str_mv |
Applied Catalysis A: general. Amsterdam. Vol. 467, no. 2 (Oct. 2013), p. 439-449 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
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application/pdf |
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