Delocalization length, electronic properties and vibrational spectra of neutral alpha,alpha'-dimethyl end-capped oligothiophenes

被引：22

作者：

Hernandez, V

Casado, J

Ramirez, FJ

Zotti, G

Hotta, S

Navarrete, JTL

机构：

[1] UNIV MALAGA,DEPT QUIM FIS,E-29071 MALAGA,SPAIN

[2] CNR,IST POLAROG & ELETTROCHIM PREPARAT,I-35020 PADUA,ITALY

[3] MATSUSHITA RES INST TOKYO INC,ADV MAT RES LAB,TAMA KU,KAWASAKI,KANAGAWA 214,JAPAN

来源：

SYNTHETIC METALS | 1996年 / 76卷 / 1-3期

关键词：

delocalization length; electronic properties; vibrational spectra; oligothiophenes;

D O I：

10.1016/0379-6779(95)03470-5

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present FT-Raman and FT-IR spectra of neutral alpha,alpha'-dimethyl end-capped oligothiophenes (to six thiophene units) as solid samples and in solution. Gas-phase potential to internal rotation of alpha,alpha'-dimethylbithiophene has been predicted by ab initio calculations at the RHF/6-31G** level, as a model for the theoretical study of the conformational flexibility of these molecules.

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收藏

页码：277 / 280

页数：4

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