Probing the relation between charge transport and supramolecular organization down to ångström resolution in a benzothiadiazole-cyclopentadithiophene copolymer.

Niedzialek, Dorota; Lemaur, Vincent; Dudenko, Dmytro; Shu, Jie; Hansen, Michael Ryan; Andreasen, Jens Wenzel; Pisula, Wojciech; Müllen, Klaus et al. · Adv Mater · 2013

basic_science · Level V

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Abstract

Molecular modeling shows that longitudinal displacement of the backbones by a couple of ångströms has a profound impact on the electronic coupling mediating charge transport in a conjugated copolymer. These changes can be probed by monitoring the calculated X-ray scattering patterns and NMR chemical shifts as a function of sliding of the polymer chains and comparing them to experiment.

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