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

ABSTRACT: 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.

SUBMITTER: Johnson NT

PROVIDER: S-EPMC8254529 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature

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

Johnson Natalie T NT Probert Michael R MR Waddell Paul G PG

Acta crystallographica. Section C, Structural chemistry 20210628 Pt 7

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 polymor ...[more]

PMID: 34216449

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

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Structural investigations into a new polymorph of F<sub>4</sub>TCNQ: towards enhanced semiconductor properties.

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