Crystal structure of 4,4′,3″,4‴-Tetramethyl2,2′:5′,2″:5″,2‴-tetrathiophene: A comparison with the conformation in solution

Authors

  • Dr. Giovanna Barbarella,

    Corresponding author
    1. Istituto dei Composti del Carbonio Contenenti Eteroatomi e Loro Applicazioni, C.N.R., Via della Chimica 8, 1-40064 Ozzano Emilia, Bologna (Italy)
    • Department of Solid State Physics, University of Lund, Box 118, S-22100 Lund (Sweden)
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  • Massimo Zambianchi,

    1. Istituto dei Composti del Carbonio Contenenti Eteroatomi e Loro Applicazioni, C.N.R., Via della Chimica 8, 1-40064 Ozzano Emilia, Bologna (Italy)
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  • Prof. Alessandro Bongini,

    Corresponding author
    1. Dipartimento di Chimica G. Ciamician, Universita Via Selmi 2, I-40127 Bologna (Italy)
    • Dipartimento di Chimica G. Ciamician, Universita Via Selmi 2, I-40127 Bologna (Italy)
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  • Prof. Luciano Antolini

    Corresponding author
    1. Istituto dei Composti del Carbonio Contenenti Eteroatomi e Loro Applicazioni, C.N.R., Via della Chimica 8, 1-40064 Ozzano Emilia, Bologna (Italy)
    • Istituto dei Composti del Carbonio Contenenti Eteroatomi e Loro Applicazioni, C.N.R., Via della Chimica 8, 1-40064 Ozzano Emilia, Bologna (Italy)
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  • [AMC 135].

Abstract

Are thiophene rings and chains more easily deformed than those in polyphenylene, polyfuran and polypyrrole? The conformation has great influence on the conjugation lenght of the polymers and therefore on their optical and electronic properites. Data obtained from an extremely rare X-ray structure determination of an α, α'-conjugated oligothiophene is comapared with that obtained from solution studies and both are discussed in light of MMP2 force-field calculations.

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