Experimental and theoretical study of the infrared and Raman spectra of a substituted sexithiophene in five oxidation states

被引：68

作者：

Casado, J ^{[1
]}

Miller, LL

Mann, KR

Pappenfus, TM

Hernández, V

Navarrete, JTL

机构：

[1] Univ Huelva, Escuela Politech Super, Dept Ingn Quim Quim Fis & Quim Organ, Huelva 21819, Spain

[2] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA

[3] Univ Malaga, Fac Ciencia, Dept Quim Fis, E-29071 Malaga, Spain

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2002年 / 106卷 / 14期

关键词：

D O I：

10.1021/jp0138678

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 infrared absorption and Raman scattering spectra recorded during the electrochemical oxidation of two sexithiophenes are reported. Using in situ spectroelectrochemical methods five oxidation states, neutral, radical cation, dication, radical trication, and tetracation of an alpha,alpha'-diphenyl sexithiophene, were studied. The experimental spectra are in agreement with the predictions of the effective conjugation coordinate theory and are in good accordance with theoretical density functional theory calculations.

引用

页码：3597 / 3605

页数：9

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