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

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.

SUBMITTER: Ueberricke L 

PROVIDER: S-EPMC7540477 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature

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

Ueberricke Lucas L   Ciubotaru Ioana I   Ghalami Farhad F   Mildner Felix F   Rominger Frank F   Elstner Marcus M   Mastalerz Michael M  

Chemistry (Weinheim an der Bergstrasse, Germany) 20200730 50

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. ...[more]

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