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Structural investigations into a new polymorph of F 4 TCNQ: towards enhanced semiconductor properties
Author(s) -
Johnson Natalie T.,
Probert Michael R.,
Waddell Paul G.
Publication year - 2021
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229621006252
Subject(s) - tetracyanoquinodimethane , crystal structure , crystallography , molecule , organic semiconductor , dichloromethane , semiconductor , toluene , diffraction , chemistry , materials science , organic chemistry , solvent , optics , physics , optoelectronics
During the course of research into the structure of 2,3,5,6‐tetrafluoro‐7,7,8,8‐tetracyanoquinodimethane (F 4 TCNQ), C 12 F 4 N 4 , an important compound in charge‐transfer and organic semiconductor research, a previously unreported polymorph of F 4 TCNQ was grown concomitantly with the known polymorph from a saturated solution of dichloromethane. The structure was elucidated using single‐crystal X‐ray diffraction and it was found that the new polymorph packs with molecules in parallel layers, in a similar manner to the layered structure of F 2 TCNQ. The structure was analysed using Hirshfeld surface analysis, fingerprint plots and pairwise interaction energies, and compared to existing data. The structure of a toluene solvate of F 4 TCNQ is also reported.