Multiple Chain Packing and Phase Composition in Regioregular Poly(3-butylthiophene) Films
Journal article, 2016

On the basis of different film preparation conditions, we address the phase composition and thiophene main-chain and butyl side-chain organization of three regioregular poly(3-butylthiophene) (P3BT) samples prepared by drop-casting. These samples are readily identified by wide-angle X-ray diffraction (WAXD) with the structural P3BT polymorphs commonly referred to as forms I, I?, and II. Here, we show by means of WAXD, solid-state nuclear magnetic resonance (NMR), and Fourier-transform infrared spectroscopy (FTIR) that the P3BT samples identified with these polymeric forms (I, I?, and II) do not contain a single, unique crystalline phase and an amorphous phase, but additionally consist of one (form II) or two (forms I and I?) distinct crystalline phases. Each of the crystalline phases is associated with specific thiophene main-chain packing arrangements and butyl side-chain organizations. We provide a spectroscopic identification for each of the P3BT crystalline phases, enabling a detailed and consistent picture of molecular order and polymer main-chain and side-chain packing. Thus, our results are expected to be valuable in future studies of poly(3-alkylthiophene) (P3AT) thin films, where in particular FTIR studies will permit quick and easy access to both phase composition and identification of multiple thiophene main-chain packing structures.


Yuan Yuan

Max Planck Society

Qingdao University of Science and Technology

Jie Shu

Max Planck Society

Soochow University

Krzysztof Kolman

Chalmers, Chemistry and Chemical Engineering, Applied Chemistry

Adam Kiersnowski

Max Planck Society

Wrocław University of Science and Technology

Christoph Bubeck

Max Planck Society

Jianming Zhang

Qingdao University of Science and Technology

Max Planck Society

Michael Ryan Hansen

University of Münster

Max Planck Society


00249297 (ISSN) 15205835 (eISSN)

Vol. 49 24 9493-9506

Subject Categories

Chemical Sciences



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