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, Siva,José Augusto Pereira da
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Materials research (São Carlos. Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392003000300006
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 Dye incorporation in polyphosphate gels: synthesis and theoretical calculationssol-gelelectronic structuretheoretical and experimental absorption spectrasemiempirical/CI calculationsmalachite greencrystal violetIn 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.ABM, ABC, ABPol2003-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392003000300006Materials Research v.6 n.3 2003reponame:Materials research (São Carlos. Online)instname:Universidade Federal de São Carlos (UFSCAR)instacron:ABM ABC ABPOL10.1590/S1516-14392003000300006info:eu-repo/semantics/openAccessDel Nero,JordanGalembeck,AndréSilva,Sidicleia Bezerra CostaSiva,José Augusto Pereira daeng2003-11-28T00:00:00Zoai:scielo:S1516-14392003000300006Revistahttp://www.scielo.br/mrPUBhttps://old.scielo.br/oai/scielo-oai.phpdedz@power.ufscar.br1980-53731516-1439opendoar:2003-11-28T00:00Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)false
dc.title.none.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
sol-gel
electronic structure
theoretical and experimental absorption spectra
semiempirical/CI calculations
malachite green
crystal violet
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
Siva,José Augusto Pereira da
author_role author
author2 Galembeck,André
Silva,Sidicleia Bezerra Costa
Siva,José Augusto Pereira da
author2_role author
author
author
dc.contributor.author.fl_str_mv Del Nero,Jordan
Galembeck,André
Silva,Sidicleia Bezerra Costa
Siva,José Augusto Pereira da
dc.subject.por.fl_str_mv sol-gel
electronic structure
theoretical and experimental absorption spectra
semiempirical/CI calculations
malachite green
crystal violet
topic sol-gel
electronic structure
theoretical and experimental absorption spectra
semiempirical/CI calculations
malachite green
crystal violet
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.none.fl_str_mv 2003-06-01
dc.type.driver.fl_str_mv 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://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392003000300006
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392003000300006
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S1516-14392003000300006
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv ABM, ABC, ABPol
publisher.none.fl_str_mv ABM, ABC, ABPol
dc.source.none.fl_str_mv Materials Research v.6 n.3 2003
reponame:Materials research (São Carlos. Online)
instname:Universidade Federal de São Carlos (UFSCAR)
instacron:ABM ABC ABPOL
instname_str Universidade Federal de São Carlos (UFSCAR)
instacron_str ABM ABC ABPOL
institution ABM ABC ABPOL
reponame_str Materials research (São Carlos. Online)
collection Materials research (São Carlos. Online)
repository.name.fl_str_mv Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)
repository.mail.fl_str_mv dedz@power.ufscar.br
_version_ 1754212657347428352

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