Dye incorporation in polyphosphate gels: synthesis and theoretical calculations

Detalhes bibliográficos
Autor(a) principal: DEL NERO, Jordan
Data de Publicação: 2003
Outros Autores: GALEMBECK, André, SILVA, Sidicleia Bezerra Costa, SILVA, José Augusto Pereira da
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFPA
Texto Completo: http://repositorio.ufpa.br/jspui/handle/2011/4292
Resumo: In this work we described theoretical calculations on the electronic structure and optical properties of the dyes crystal violet and malachite green based in semiempirical methods (Parametric Method 3 and Intermediate Neglect of Differential Overlap / Spectroscopic - Configuration Interaction) and the synthesis of a new hybrid material based upon the incorporation of these dyes in an aluminum polyphosphate gel network. The samples are nearly transparent, free-standing thick films. The optical properties of the entrapped dyes are sensitive to chemical changes within the matrix caused either by gel aging or external stimulli such as exposition to acidic and basic vapors that can percolate within the matrix. Our theoretical modeling is in good agreement with the experimental results for the dyes.
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spelling 2013-09-27T14:42:07Z2013-09-27T14:42:07Z2003-06DEL NERO, Jordan, et al. Dye incorporation in polyphosphate gels: synthesis and theoretical calculations. Materials Research, São Carlos, v. 6, n. 3, p. 335-340, abr./jun. 2003. Disponível em: <http://www.scielo.br/pdf/mr/v6n3/a06v6n3.pdf>. Acesso em: 27 set. 2013. <http://dx.doi.org/10.1590/S1516-14392003000300006>.1980-53731516-1439http://repositorio.ufpa.br/jspui/handle/2011/4292In this work we described theoretical calculations on the electronic structure and optical properties of the dyes crystal violet and malachite green based in semiempirical methods (Parametric Method 3 and Intermediate Neglect of Differential Overlap / Spectroscopic - Configuration Interaction) and the synthesis of a new hybrid material based upon the incorporation of these dyes in an aluminum polyphosphate gel network. The samples are nearly transparent, free-standing thick films. The optical properties of the entrapped dyes are sensitive to chemical changes within the matrix caused either by gel aging or external stimulli such as exposition to acidic and basic vapors that can percolate within the matrix. Our theoretical modeling is in good agreement with the experimental results for the dyes.engCorantesProcesso sol-gelGel de polifosfatoCristal violetaVerde malaquitaEspectro de absorçãoDye incorporation in polyphosphate gels: synthesis and theoretical calculationsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleDEL NERO, JordanGALEMBECK, AndréSILVA, Sidicleia Bezerra CostaSILVA, José Augusto Pereira dainfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFPAinstname:Universidade Federal do Pará (UFPA)instacron:UFPAORIGINALArtigo_DyeIncorporationPolyphosphate.pdfArtigo_DyeIncorporationPolyphosphate.pdfapplication/pdf546404http://repositorio.ufpa.br/oai/bitstream/2011/4292/1/Artigo_DyeIncorporationPolyphosphate.pdf9e48e76ac8c26ff8f3ddca6768c46a7bMD51CC-LICENSElicense_urllicense_urltext/plain; charset=utf-852http://repositorio.ufpa.br/oai/bitstream/2011/4292/2/license_url3d480ae6c91e310daba2020f8787d6f9MD52license_textlicense_texttext/html; charset=utf-80http://repositorio.ufpa.br/oai/bitstream/2011/4292/3/license_textd41d8cd98f00b204e9800998ecf8427eMD53license_rdflicense_rdfapplication/rdf+xml; charset=utf-823898http://repositorio.ufpa.br/oai/bitstream/2011/4292/4/license_rdfe363e809996cf46ada20da1accfcd9c7MD54LICENSElicense.txtlicense.txttext/plain; charset=utf-81774http://repositorio.ufpa.br/oai/bitstream/2011/4292/5/license.txtf0aa1a71c97d9c3e771021efac6d65e7MD55TEXTArtigo_DyeIncorporationPolyphosphate.pdf.txtArtigo_DyeIncorporationPolyphosphate.pdf.txtExtracted texttext/plain22438http://repositorio.ufpa.br/oai/bitstream/2011/4292/6/Artigo_DyeIncorporationPolyphosphate.pdf.txtc093b9e6fe20d0ae1356d26c3cc4f88eMD562011/42922018-01-30 12:32:47.679oai:repositorio.ufpa.br:2011/4292TGljZW7Dp2EgZGUgZGlzdHJpYnVpw6fDo28gbsOjbyBleGNsdXNpdmEKCkFvIGFzc2luYXIgZSBlbnRyZWdhciBlc3RhIGxpY2Vuw6dhLCB2b2PDqiBvKHMpIGF1dG9yIChlcykgb3UgcHJvcHJpZXTDoXJpbyhzKSBkb3MgZGlyZWl0b3MgYXV0b3JhaXMsICBjb25jZWRlIGEgVW5pdmVyc2lkYWRlIEZlZGVyYWwgZG8gUGFyw6EgLSBVRlBBLCBvIGRpcmVpdG8gbsOjbyBleGNsdXNpdm8gZGUgcmVwcm9kdXppciwgdHJhZHV6aXIgKGNvbW8gZGVmaW5pZG8gYWJhaXhvKSwgZS9vdSBkaXN0cmlidWlyIHN1YSBzdWJtaXNzw6NvIChpbmNsdWluZG8gbyByZXN1bW8pIGVtIHRvZG8gbyBtdW5kbywgZW0gZm9ybWF0byBpbXByZXNzbyBlIGVsZXRyw7RuaWNvIGUgZW0gcXVhbHF1ZXIgbWVpbywgaW5jbHVpbmRvLCBtYXMgbsOjbyBsaW1pdGFkbywgYSDDoXVkaW8gb3UgdsOtZGVvLgoKVm9jw6ogY29uY29yZGEgcXVlIGEgVUZQQSBwb2RlLCBzZW0gYWx0ZXJhciBvIGNvbnRlw7pkbywgdHJhZHV6aXIgYSBzdWJtaXNzw6NvIGEgcXVhbHF1ZXIgbWVpbyBvdSBmb3JtYXRvIHBhcmEgbyBwcm9ww7NzaXRvIGRlIHByZXNlcnZhw6fDo28uCgpWb2PDqiB0YW1iw6ltIGNvbmNvcmRhIHF1ZSBVRlBBIHBvZGUgbWFudGVyIG1haXMgZGUgdW1hIGPDs3BpYSBkZXNzYSBzdWJtaXNzw6NvIHBhcmEgZmlucyBkZSBzZWd1cmFuw6dhLCBiYWNrLXVwIGUgcHJlc2VydmHDp8Ojby4KClZvY8OqIGRlY2xhcmEgcXVlIGEgYXByZXNlbnRhw6fDo28gw6kgbyBzZXUgdHJhYmFsaG8gb3JpZ2luYWwsIGUgcXVlIHZvY8OqIHRlbSBvIGRpcmVpdG8gZGUgY29uY2VkZXIgb3MgZGlyZWl0b3MgY29udGlkb3MgbmVzdGEgbGljZW7Dp2EuIFZvY8OqIHRhbWLDqW0gZGVjbGFyYSBxdWUgc3VhIHN1Ym1pc3PDo28sIGFvIHNldSBjb25oZWNpbWVudG8sIG7Do28gaW5mcmluZ2Ugb3MgZGlyZWl0b3MgYXV0b3JhaXMgZGUgYWxndcOpbS4KClNlIG8gZG9jdW1lbnRvIGVudHJlZ3VlIGNvbnTDqW0gbWF0ZXJpYWwgcGFyYSBvIHF1YWwgdm9jw6ogbsOjbyB0ZW0gZGlyZWl0b3MgYXV0b3JhaXMsIFZvY8OqIGRlY2xhcmEgcXVlIG9idGV2ZSBhIHBlcm1pc3PDo28gaXJyZXN0cml0YSBkbyBwcm9wcmlldMOhcmlvIGRvcyBkaXJlaXRvcyBhdXRvcmFpcyBwYXJhIGNvbmNlZGVyIGEgVUZQQSBvcyBkaXJlaXRvcyByZXF1ZXJpZG9zIHBvciBlc3RhIGxpY2Vuw6dhLCBlIHF1ZSBtYXRlcmlhaXMgZGUgdGVyY2Vpcm9zIGVzdMOhIGNsYXJhbWVudGUgaWRlbnRpZmljYWRvIGUgcmVjb25oZWNpZG8gbm8gdGV4dG8gb3UgY29udGXDumRvIGRhIGFwcmVzZW50YcOnw6NvLgoKU2UgYSBzdWJtaXNzw6NvIMOpIGJhc2VhZGEgbm8gdHJhYmFsaG8gcXVlIHRlbSBzaWRvIHBhdHJvY2luYWRvIG91IGFwb2lhZG8gcG9yIHVtIMOzcmfDo28gb3Ugb3V0cmEgb3JnYW5pemHDp8OjbyBxdWUgbsOjbyBzZWphIGEgVUZQQSwgdm9jw6ogZGVjbGFyYSB0ZXIgY3VtcHJpZG8gcXVhbHF1ZXIgZGlyZWl0byBkZSByZXZpc8OjbyBvdSBvdXRyYXMgb2JyaWdhw6fDg8K1ZXMgcmVxdWVyaWRhcyBwZWxvIGNvbnRyYXRvIG91IGFjb3Jkby4KCkEgVUZQQSBpcsOhIGlkZW50aWZpY2FyIGNsYXJhbWVudGUgbyhzKSBzZXUocykgbm9tZShzKSBjb21vIG8ocykgYXV0b3IgKGVzKSBvdSBwcm9wcmlldMOhcmlvKHMpIGRhIHN1Ym1pc3PDo28sIGUgbsOjbyBmYXLDoSBxdWFscXVlciBhbHRlcmHDp8OjbywgYWzDqW0gZGFzIHBlcm1pdGlkYXMgcG9yIGVzdGEgbGljZW7Dp2EsIGEgc3VhIHN1Ym1pc3PDo28uCg==Repositório InstitucionalPUBhttp://repositorio.ufpa.br/oai/requestriufpabc@ufpa.bropendoar:21232018-01-30T15:32:47Repositório Institucional da UFPA - Universidade Federal do Pará (UFPA)false
dc.title.pt_BR.fl_str_mv Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
title Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
spellingShingle Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
DEL NERO, Jordan
Corantes
Processo sol-gel
Gel de polifosfato
Cristal violeta
Verde malaquita
Espectro de absorção
title_short Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
title_full Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
title_fullStr Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
title_full_unstemmed Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
title_sort Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
author DEL NERO, Jordan
author_facet DEL NERO, Jordan
GALEMBECK, André
SILVA, Sidicleia Bezerra Costa
SILVA, José Augusto Pereira da
author_role author
author2 GALEMBECK, André
SILVA, Sidicleia Bezerra Costa
SILVA, José Augusto Pereira da
author2_role author
author
author
dc.contributor.author.fl_str_mv DEL NERO, Jordan
GALEMBECK, André
SILVA, Sidicleia Bezerra Costa
SILVA, José Augusto Pereira da
dc.subject.por.fl_str_mv Corantes
Processo sol-gel
Gel de polifosfato
Cristal violeta
Verde malaquita
Espectro de absorção
topic Corantes
Processo sol-gel
Gel de polifosfato
Cristal violeta
Verde malaquita
Espectro de absorção
description In this work we described theoretical calculations on the electronic structure and optical properties of the dyes crystal violet and malachite green based in semiempirical methods (Parametric Method 3 and Intermediate Neglect of Differential Overlap / Spectroscopic - Configuration Interaction) and the synthesis of a new hybrid material based upon the incorporation of these dyes in an aluminum polyphosphate gel network. The samples are nearly transparent, free-standing thick films. The optical properties of the entrapped dyes are sensitive to chemical changes within the matrix caused either by gel aging or external stimulli such as exposition to acidic and basic vapors that can percolate within the matrix. Our theoretical modeling is in good agreement with the experimental results for the dyes.
publishDate 2003
dc.date.issued.fl_str_mv 2003-06
dc.date.accessioned.fl_str_mv 2013-09-27T14:42:07Z
dc.date.available.fl_str_mv 2013-09-27T14:42:07Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.citation.fl_str_mv DEL NERO, Jordan, et al. Dye incorporation in polyphosphate gels: synthesis and theoretical calculations. Materials Research, São Carlos, v. 6, n. 3, p. 335-340, abr./jun. 2003. Disponível em: <http://www.scielo.br/pdf/mr/v6n3/a06v6n3.pdf>. Acesso em: 27 set. 2013. <http://dx.doi.org/10.1590/S1516-14392003000300006>.
dc.identifier.uri.fl_str_mv http://repositorio.ufpa.br/jspui/handle/2011/4292
dc.identifier.issn.none.fl_str_mv 1980-5373
1516-1439
identifier_str_mv DEL NERO, Jordan, et al. Dye incorporation in polyphosphate gels: synthesis and theoretical calculations. Materials Research, São Carlos, v. 6, n. 3, p. 335-340, abr./jun. 2003. Disponível em: <http://www.scielo.br/pdf/mr/v6n3/a06v6n3.pdf>. Acesso em: 27 set. 2013. <http://dx.doi.org/10.1590/S1516-14392003000300006>.
1980-5373
1516-1439
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