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metadata.dc.type: Artigo de Periódico
Issue Date: Jun-2003
metadata.dc.creator: DEL NERO, Jordan
SILVA, Sidicleia Bezerra Costa
SILVA, José Augusto Pereira da
Title: Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
Citation: 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: <>. Acesso em: 27 set. 2013. <>.
Abstract: 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.
Keywords: Corantes
Processo sol-gel
Gel de polifosfato
Cristal violeta
Verde malaquita
Espectro de absorção
ISSN: 1980-5373
metadata.dc.rights: Acesso Aberto
Appears in Collections:Artigos Científicos - FACFIS/ICEN

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