Journal
SYNTHETIC METALS
Volume 135, Issue 1-3, Pages 257-258Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/S0379-6779(02)00670-7
Keywords
ab initioquantum chemical calculations; coupling reactions; photoluminescence; UV-vis absorption; polythiophenederivatives
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Ab initio calculations on bithiophenes, confirmed by X-ray analysis, show how to design polythiophenes with C=O groups in both the 3- and 4-positions which are completely planar. Planarity results from coulombic attraction between a carbonyl O and a nearby S. A model bithiophene and two polythiophene imides which are potentially completely planar have been prepared and studied.
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