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

    Résultats de recherche: Contribution à un journal/une revueArticleRevue par des pairs

    Résumé

    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.
    langue originaleAnglais
    Pages (de - à)379-387
    Nombre de pages9
    journalMagnetic Resonance in Chemistry
    Volume50
    Numéro de publication5
    Les DOIs
    Etat de la publicationPublié - 1 mai 2012

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