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Regensburg 2019 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 37: Poster Session III

CPP 37.3: Poster

Mittwoch, 3. April 2019, 11:00–13:00, Poster B1

What is the role of planarity and torsional freedom for aggregation in organic semiconductor materials? — •Stefan Wedler1, Axel Bourdick2, Stephan Gekle2, Fabian Panzer1, Caitlin McDowell3, Guillermo C. Bazan3, Thuc-Quyen Nguyen3, and Anna Köhler1,41Soft Matter Optoelectronics, University of Bayreuth — 2Biofluid Simulation and Modeling, University of Bayreuth — 3Center for Polymers and Organic Solids, UC Santa Barbara — 4BIMF, University of Bayreuth

Planarity and rotational freedom play an important role for the aggregation process in organic semiconductors. Stiff and planar molecules seem to aggregate more easily. However, it is not clear whether these factors are a prerequisite or just a side effect of aggregation. We investigate the importance of planarity for aggregation using two small conjugated molecules, which consist of typical building blocks and differ only by the rigidity of their central unit. Their aggregation properties are compared by absorption and luminescence spectroscopy, both temperature dependent in solution as well as in-situ upon spincasting during film formation. MD simulations and DFT calculations reveal intermolecular arrangements. Our results suggest that planarity and torsional rigidity are indeed needed to promote aggregation, though too much rigidity can obstruct the pathway to ordered structures.

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