Dresden 2026 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 17: Poster I
CPP 17.9: Poster
Monday, March 9, 2026, 19:00–21:00, P5
The aggregation of DPND dyes in the solid state studied by nuclear magnetic resonance spectroscopy — •Sascha Bartosch1, Mohamed Bouajhine2, Łukasz Kielesiński3, Marieta Levichkova4, Eva Bittrich1, Petra Uhlmann1, Patrick Brocorens2, Martin Pfeiffer4, Daniel T. Gryko3, David Beljonne2, and Ulrich Scheler1 — 1Leibniz-Institut für Polymerforschung Dresden e. V. - Dresden, Germany — 2Laboratory for Chemistry of Novel Materials, University of Mons - Mons, Belgium — 3The Institute of Organic Chemistry of the Polish Academy of Sciences - Warsaw, Poland — 4Heliatek GmbH - Dresden, Germany
Dipyrrolonaphthyridinediones (DNPDs) have recently been introduced as a novel class of cross-conjugated dyes. Their promising photophysical properties make them a potential candidate for various applications. Although the packing type is expected to have an influence on the performance, their aggregation remains to be studied.
Solid-state NMR 1H-1H double-quantum-single-quantum correlation experiments are suitable to probe the spatial proximity of functional groups since it is based on short-range dipolar interactions between the spins. The proximity information is used for the understanding of the packing of molecules. Signals have been assigned by comparison of the experimental to simulated chemical shifts. Strong up-field shifts of aromatic protons induced by packing effects like pi-pi-interactions were observed, consistent with predicted crystal structures. Intermolecular homo couplings were used to identify different aggregation patterns.
Keywords: NMR; aggregation; organic dyes; photophysics