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BIBTEX RIS

Estrutura e propriedades da difenil-4-amina sulfonato de sódio: um dopante de filmes condutores

2006; Brazilian Chemical Society; Volume: 29; Issue: 5 Linguagem: Inglês

10.1590/s0100-40422006000500017

ISSN

1678-7064

Autores

José Maria Pires, F.E. Jorge, Luiz Carlos Machado, A.A.L. Marins,

Tópico(s)

Molecular Junctions and Nanostructures

Resumo

A DOPANT OF CONDUCTIVE FILMS.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.

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