EPR STUDY OF BITHIOPHENE, TERTHIOPHENE AND QUATERTHIOPHENE RADICAL CATIONS

被引：16

作者：

KIRSTE, B ^{[1
]}

TIAN, PZ ^{[1
]}

KOSSMEHL, G ^{[1
]}

ENGELMANN, G ^{[1
]}

JUGELT, W ^{[1
]}

机构：

[1] HUMBOLDT UNIV BERLIN,INST ORGAN CHEM,D-10115 BERLIN,GERMANY

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 1995年 / 33卷 / 01期

关键词：

EPR; ENDOR; TERTHIOPHENES; OLIGOTHIOPHENES; RADICAL CATIONS;

D O I：

10.1002/mrc.1260330112

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Radical cations of a series of and-methyl-substituted bi-, ter- and quaterthiophenes were investigated by EPR and, in part, ENDOR spectroscopy. In the case of terthiophenes, the electronic and steric effects of methyl substituents were studied. The experimentally determined spin density distributions were rationalized by means of semiempirical quantum-mechanical calculations (MNDO, PM3, RHF-INDO/SP). Sterically non-hindered oligothiophene radical cations are planar and form mixtures of cis and trans conformers, whereas uniform species were observed in the case of sterically hindered, non-planar radical cations.

引用

页码：70 / 76

页数：7

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