Artículos de revistas
Estrutura e propriedades da difenil-4-amina sulfonato de sódio : um dopante de filmes condutores
Fecha
2006-09Registro en:
0100-4042
10.1590/S0100-40422006000500017
Institución
Resumen
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.