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Di‐ and Tetracyano‐Substituted Pyrene‐Fused Pyrazaacenes: Aggregation in the Solid State
Author(s) -
Ueberricke Lucas,
Ciubotaru Ioana,
Ghalami Farhad,
Mildner Felix,
Rominger Frank,
Elstner Marcus,
Mastalerz Michael
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202002382
Subject(s) - pyrene , solid state , charge (physics) , crystallography , crystal (programming language) , chemistry , materials science , chemical physics , organic chemistry , physics , computer science , quantum mechanics , programming language
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.