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Resolving the backbone tilt of crystalline poly(3-hexylthiophene) with resonant tender X-ray diffraction

Freychet, G; Chantler, P; Huang, Y; Tan, WL; Zhernenkov, M; Nayak, N; Kumar, A; ... McNeill, CR; + view all (2022) Resolving the backbone tilt of crystalline poly(3-hexylthiophene) with resonant tender X-ray diffraction. Materials Horizons , 9 (6) pp. 1649-1657. 10.1039/d2mh00244b. Green open access

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Abstract

The way in which conjugated polymers pack in the solid state strongly affects the performance of polymer-based optoelectronic devices. However, even for the most crystalline conjugated polymers the precise packing of chains within the unit cell is not well established. Here we show that by performing resonant X-ray diffraction experiments at the sulfur K-edge we are able to resolve the tilting of the planar backbones of crystalline poly(3-hexylthiophene) (P3HT) within the unit cell. This approach exploits the anisotropic nature of the X-ray optical properties of conjugated polymers, enabling us to discern between different proposed crystal structures. By comparing our data with simulations based on different orientations, a tilting of the planar conjugated backbone with respect to the side chain stacking direction of 30 ± 5° is determined.

Type: Article
Title: Resolving the backbone tilt of crystalline poly(3-hexylthiophene) with resonant tender X-ray diffraction
Location: England
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/d2mh00244b
Publisher version: https://doi.org/10.1039/d2mh00244b
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10171440
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