Please use this identifier to cite or link to this item: http://repositorio.ufes.br/handle/10/612
Title: Estrutura e propriedades da difenil-4-amina sulfonato de sódio : um dopante de filmes condutores
Other Titles: Structure and properties of diphenyl-4-amine sodium sulphonate : a dopant of conductive films
metadata.dc.creator: Pires, José Maria
Jorge, Francisco Elias
Machado, Luiz Carlos
Marins, Antonio Augusto Lopes
Keywords: Polímeros;Molecular modeling;Polymers;Solvent effect
Issue Date: Sep-2006
Citation: PIRES, José Maria et al. Estrutura e propriedades da difenil-4-amina sulfonato de sódio: um dopante de filmes condutores. Quím. Nova, São Paulo, v. 29, n. 5, p. 977-982, set./out. 2006. Disponível em: <http://www.scielo.br/pdf/qn/v29n5/31060.pdf>. Acesso em: 14 mar. 2011.
Abstract: This work contains the theoretical simulation of the conformation of diphenyl-4-amine sodium sulphonate (DASNa) and correlates its geometry with conductivity, showing that the conductivity increases as the molecule becomes more planar. The solvent effect was also evaluated, using water and dimethylsulfoxide. Some properties, such as bond distance, vibration al frequency and effective charge were calculated. The utilization of diphenyl-4-amine sodium sulphonate (DASNa) as dopant of aniline was investigated in view of the HOMO-LUMO energy gap.
URI: http://repositorio.ufes.br/handle/10/612
ISSN: 0100-4042
Appears in Collections:DFIS - Artigos publicados em periódicos
DQUI - Artigos publicados em periódicos

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