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Di- and Tetracyano-Substituted Pyrene-Fused Pyrazaacenes: Aggregation in the Solid State |
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| Authors: | Lucas Ueberricke Ioana Ciubotaru Farhad Ghalami Felix Mildner Dr Frank Rominger Prof Dr Marcus Elstner Prof Dr Michael Mastalerz |
| Institution: | 1. Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg, Im Neuenheimer Feld 270, 69120 Heidelberg, Germany;2. Institut für Physikalische Chemie, Karlsruher Institute of Technology (KIT), Kaiserstrasse 12, 76131 Karlsruhe, Germany |
| Abstract: | Five di- and tetracyano-substituted pyrene-fused pyrazaacenes were synthesized and studied as potential electron acceptors in the solid state. Single crystals of all compounds were grown and the crystal packing studied by DFT calculations (transfer integrals and reorganization energies) to get insight into possible use for semiconducting charge transport. |
| Keywords: | aggregation crystal engineering electron transfer fused-ring systems pyrazaacenes |