Di- and tetracyano-substituted pyrene-fused pyrazaacenes: aggregation in the solid state

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 insig...

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Main Authors: Ueberricke, Lucas (Author) , Ciubotaru, Ioana (Author) , Ghalami, Farhad (Author) , Mildner, Felix (Author) , Rominger, Frank (Author) , Elstner, Marcus (Author) , Mastalerz, Michael (Author)
Format: Article (Journal)
Language:English
Published: July 30, 2020
In: Chemistry - a European journal
Year: 2020, Volume: 26, Issue: 50, Pages: 11634-11642
ISSN:1521-3765
DOI:10.1002/chem.202002382
Online Access:Verlag, kostenfrei, Volltext: https://doi.org/10.1002/chem.202002382
Verlag, kostenfrei, Volltext: https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.202002382
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Author Notes:Lucas Ueberricke, Ioana Ciubotaru, Farhad Ghalami, Felix Mildner, Frank Rominger, Marcus Elstner, and Michael Mastalerz
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Summary: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.
Item Description:Gesehen am 05.10.2020
Physical Description:Online Resource
ISSN:1521-3765
DOI:10.1002/chem.202002382