Combined experimental-theoretical NMR study on 2,5-bis(5-aryl-3- hexylthiophen-2-yl)-thiazolo[5,4-d]thiazole derivatives for printable electronics

S. Van Mierloo, V. Liégeois, J. Kudrjasova, Edith Botek, L. Lutsen, B. Champagne, D. Vanderzande, P. Adriaensens, W. Maes

    Research output: Contribution to journalArticle

    Abstract

    Four 2,5-bis(5-aryl-3-hexylthiophen-2-yl)thiazolo[5,4-d]thiazole derivatives have been synthesized and thoroughly characterized. The extended aromatic core of the molecules was designed to enhance the charge transport characteristics, and solubilizing hexyl side chains were introduced on the thiophene subunits to enable possible integration of these semiconducting small molecules in printable electronics. Complete elucidation of the chemical structures by detailed one-dimensional/two-dimensional NMR spectroscopy is described, providing interesting input for chemical shift prediction software as well, because limited experimental data on these types of compounds are currently available. Furthermore, theoretical calculations have assisted experimental observations-giving support for the chemical shift assignment and providing a springboard for future screening and predictions-demonstrating the benefits of a coordinated theoretical-experimental approach.
    Original languageEnglish
    Pages (from-to)379-387
    Number of pages9
    JournalMagnetic Resonance in Chemistry
    Volume50
    Issue number5
    DOIs
    Publication statusPublished - 1 May 2012

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    Functional Supramolecular Systems (PAI P6/27)

    CHAMPAGNE, B., WOUTERS, J., BOTEK, E., DE WERGIFOSSE, M., GUTHMULLER, J., Liegeois, V., NORBERG, B., Plaquet, A., STAELENS, N. & Vercauteren, D.

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    CHAMPAGNE, B., VIGNERON, J., DERYCKE, I., FRIPIAT, J., Lambin, P., SCHIEVEKAMP, I., Vercauteren, D., Wautelet, F. & WOUTERS, J.

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