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Probing the Relation Between Charge Transport and Supramolecular Organization Down to Ångström Resolution in a Benzothiadiazole‐Cyclopentadithiophene Copolymer
Author(s) -
Niedzialek Dorota,
Lemaur Vincent,
Dudenko Dmytro,
Shu Jie,
Hansen Michael Ryan,
Andreasen Jens Wenzel,
Pisula Wojciech,
Müllen Klaus,
Cornil Jérôme,
Beljonne David
Publication year - 2013
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.201201058
Subject(s) - copolymer , materials science , angstrom , supramolecular chemistry , chemical physics , polymer , charge (physics) , scattering , conjugated system , coupling (piping) , crystallography , polymer chemistry , crystal structure , physics , optics , chemistry , quantum mechanics , composite material , metallurgy
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.