Poly(3-alkylthiophenes) (P3ATs) belong to the most widespread class of semiconducting polymers due to their favorable electronic and optical properties in addition to their commercial availability. However, different preparation conditions, like choice of solvent, annealing, etc. is known to influence their specific phase composition. This leads to different crystalline polymorphs, which in the literature are characterized by varying degrees of side-chain order (disordered, ordered and interdigitated) and a single, ordered thiophene main-chain packing. In this contribution, recent work on a number P3ATs with different side chains will be presented, highlighting the unique structural insights available from a combination of solid-state NMR, X-ray diffraction, and Fourier-transform infrared (FTIR) spectroscopy. This combination enables a revised description of the crystalline polymorphs in terms of polythiophene main-chain packing, side chain ordering and phase composition, focusing on poly(3-butylthiophene) (P3BT), and a setting up a generalized packing model for P3ATs with longer, linear side chains.

Poly(3-alkylthiophenes): Chain packing, side chain ordering, and phase composition from solid-state NMR

255th National Meeting (2018)

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