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EPR study of Bi-, Ter- and quaterthiophene radical cations

✍ Scribed by Burkhard Kirste; Peizhu Tian; Gerhard Kossmehl; Gunnar Engelmann; Werner Jugelt

Publisher
John Wiley and Sons
Year
1995
Tongue
English
Weight
577 KB
Volume
33
Category
Article
ISSN
0749-1581

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✦ Synopsis

Radical cations of a series of a-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 semi- empirical quantum-mechanical calculations (MNDO, PM3, RHF-INDO/SP). Sterically noo-hindered oligothiop hene 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.

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