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Structural investigations into a new polymorph of F₄TCNQ: towards enhanced semiconductor properties

Lookup NU author(s): Natalie Johnson, Professor Mike ProbertORCiD, Dr Paul Waddell

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This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).

Abstract

© 2021.During the course of research into the structure of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), C12F4N4, an important compound in charge-transfer and organic semiconductor research, a previously unreported polymorph of F4TCNQ 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 F2TCNQ. 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 F4TCNQ is also reported.

Publication metadata

Author(s): Johnson NT, Probert MR, Waddell PG

Publication type: Article

Publication status: Published

Journal: Acta Crystallographica Section C: Structural Chemistry

Year: 2021

Volume: C77

Issue: 7

Pages: 426-434

Print publication date: 01/07/2021

Online publication date: 28/06/2021

Acceptance date: 17/06/2021

Date deposited: 17/09/2021

ISSN (electronic): 2053-2296

Publisher: International Union of Crystallography

URL: https://doi.org/10.1107/S2053229621006252

DOI: 10.1107/S2053229621006252

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