Dresden 2026 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 22: Hybrid, Organic and Perovskite Optoelectronics and Photovoltaics I
CPP 22.2: Vortrag
Dienstag, 10. März 2026, 10:00–10:15, ZEU/0260
DBTTF:HATCN Cocrystals – experimental details on influence of crystal solvents on crystal structure and on charge transfer — •Andreas Opitz1, Ana M. Valencia2, Lisa Schraut-May3, Marie Siegert3, Sebastian Hammer3, Beatrice Cula4, Alexandra Friedrich5, Holger Helten5, Jens Pflaum3, and Caterina Cochi6 — 1Institut für Physik, Humboldt-Universität zu Berlin — 2Institute of Physics, Carl-von-Ossietzky Universität Oldenburg — 3Experimental Physics VI, Julius-Maximilians-Universität Würzburg — 4Department of Chemistry, Humboldt-Universität zu Berlin — 5Institute of Inorganic Chemistry & Institute for Sustainable Chemistry and Catalysis with Boron, Julius-Maximilians-Universität Würzburg — 6Institute of Condensed Matter Theory and Optics, Friedrich-Schiller-Universität Jena
Donor-acceptor (D:A) cocrystals offer a promising platform for next-generation optoelectronic applications, but the impact of residual solvent molecules on their properties remains an open question. We investigate six novel D:A cocrystals of dibenzotetrathiafulvalene (DBTTF) and 1,4,5,8,9,11-hexaazatriphenylenehexacarbonitrile (HATCN), prepared via solvent evaporation, yielding 1:1 molar D:A ratios with solvent molecules in the structure, and horizontal vapor deposition, resulting in solvent-free 3:2 cocrystals. Optical properties of these materials are largely unaffected by solvent inclusion. The vibrational energy of the cyano mode depends on the dipole moment of the incorporated solvent molecules, but the degree of charge transfer is consistent across all analyzed cocrystals.
Keywords: cocrystal formation; degree of charge transfer; crystal solvent; polymorphism