Liu, HongguangBremond, Eric Albert GeorgesPrlj, AntonioGonthier, JeromeCorminboeuf, Clemence2014-06-192014-06-192014-06-19201410.1021/jz501078shttps://infoscience.epfl.ch/handle/20.500.14299/104486WOS:000338693200025We show that substituting quaterthiophene cores with strong H-bond aggregators, such as urea groups, provides an efficient way to adjust the mutual in-plane displacements of the semiconducting units and promote charge transfer. Our 2-D structure-property mapping reveals that the insertion of substituents induces up to 2.0 angstrom longitudinal and transversal displacements between the pi-conjugated moieties. Some of these relative displacements lead to improved cofacial orbital overlaps that are otherwise inaccessible due to Pauli repulsion. Our results also emphasize that the fine-tuning of in-plane displacements is more effective than achieving "tighter" packing to promote charge-transfer properties.text::journal::journal article::research article