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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2021
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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. |
format | Online Article Text |
id | pubmed-8254529 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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