Computation and spectroelectrochemistry as complementary tools for the study of electrochemically induced charged defects in 4-[bis(4-methylphenyl)amino]phenyl oligothiophenes as model systems for hole-transporting materials

被引:39
作者
Casado, J
Delgado, MCR
Shirota, Y
Hernández, V
Navarrete, JTL
机构
[1] Univ Malaga, Fac Ciencias, Dept Quim Fis, Malaga 29071, Spain
[2] Osaka Univ, Fac Engn, Dept Appl Chem, Suita, Osaka 5650871, Japan
关键词
D O I
10.1021/jp022484m
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The in situ electronic absorption and Fourier transform Raman scattering spectra recorded during the electrochemical oxidation of two alpha,alpha'-end-capped 4-[bis(4-methylphenyl)amino]phenyl oligothiophenes with three and four thiophene rings are reported. We have characterized a radical cation and a dication species in the trimer and up to a radical trication in the tetramer. The electronic and the Raman spectra have been interpreted and assigned with the final goal of obtaining structural information about the contribution of the bis(4-methylphenyl)amino groups, the innermost phenyl rings, and the central thienyl chain length to the stabilization of the electrochemically induced charged defects. The experimental data have been supported by theoretical calculations in the framework of the density functional theory. The charged defects can be viewed as models of hole carriers or photoexcitons in real devices.
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收藏
页码:2637 / 2644
页数:8
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