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Di‐ and Tetracyano‐Substituted Pyrene‐Fused Pyrazaacenes: Aggregation in the Solid State

Ueberricke, Lucas; Ciubotaru, Ioana; Ghalami, Farhad 1; Mildner, Felix; Rominger, Frank; Elstner, Marcus 1; Mastalerz, Michael
1 Institut für Physikalische Chemie (IPC), Karlsruher Institut für Technologie (KIT)

Abstract:

Means to stream: 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 was studied by XRD and DFT calculations of transfer integrals and reorganization energies with a view to their possible use as n-type semiconductors.

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.


Verlagsausgabe §
DOI: 10.5445/IR/1000123727
Veröffentlicht am 28.11.2021
Originalveröffentlichung
DOI: 10.1002/chem.202002382
Scopus
Zitationen: 11
Dimensions
Zitationen: 12
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Physikalische Chemie (IPC)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 09.2020
Sprache Englisch
Identifikator ISSN: 0947-6539, 1521-3765
KITopen-ID: 1000123727
Erschienen in Chemistry - a European journal
Verlag John Wiley and Sons
Band 26
Heft 50
Seiten 11634–11642
Vorab online veröffentlicht am 30.07.2020
Nachgewiesen in Dimensions
Web of Science
Scopus
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