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Structural investigations into a new polymorph of F(4)TCNQ: towards enhanced semiconductor properties

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 p...

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Detalles Bibliográficos
Autores principales: Johnson, Natalie T., Probert, Michael R., Waddell, Paul G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8254529/
https://www.ncbi.nlm.nih.gov/pubmed/34216449
http://dx.doi.org/10.1107/S2053229621006252
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author Johnson, Natalie T.
Probert, Michael R.
Waddell, Paul G.
author_facet Johnson, Natalie T.
Probert, Michael R.
Waddell, Paul G.
author_sort Johnson, Natalie T.
collection PubMed
description 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.
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spelling pubmed-82545292021-07-12 Structural investigations into a new polymorph of F(4)TCNQ: towards enhanced semiconductor properties Johnson, Natalie T. Probert, Michael R. Waddell, Paul G. Acta Crystallogr C Struct Chem Research Papers 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. International Union of Crystallography 2021-06-28 /pmc/articles/PMC8254529/ /pubmed/34216449 http://dx.doi.org/10.1107/S2053229621006252 Text en © Johnson et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Johnson, Natalie T.
Probert, Michael R.
Waddell, Paul G.
Structural investigations into a new polymorph of F(4)TCNQ: towards enhanced semiconductor properties
title Structural investigations into a new polymorph of F(4)TCNQ: towards enhanced semiconductor properties
title_full Structural investigations into a new polymorph of F(4)TCNQ: towards enhanced semiconductor properties
title_fullStr Structural investigations into a new polymorph of F(4)TCNQ: towards enhanced semiconductor properties
title_full_unstemmed Structural investigations into a new polymorph of F(4)TCNQ: towards enhanced semiconductor properties
title_short Structural investigations into a new polymorph of F(4)TCNQ: towards enhanced semiconductor properties
title_sort structural investigations into a new polymorph of f(4)tcnq: towards enhanced semiconductor properties
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8254529/
https://www.ncbi.nlm.nih.gov/pubmed/34216449
http://dx.doi.org/10.1107/S2053229621006252
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