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Crystal Structure of Anion-Radical Salts of 7,7,8,8-tetracyanoquinodimethane with N-xylyl-pyridinium and N-xylyl-isoquinolinium Cations

Crystal Structure of Anion-Radical Salts of 7,7,8,8-tetracyanoquinodimethane with... Novel anion-radical salts of 7,7,8,8-tetracyanoquinodimethane (TCNQ) with N-xylyl-pyridinium and N-xylyl-isoquinolinium cations of complex composition ((N-Xy-Py)(TCNQ)2(CH3CN) (1) and (N-Xy-iQn)(TCNQ)2 (2), respectively) have been synthesized. The crystal and molecular structures of 1 and 2 are determined using X-ray diffraction (XRD) analysis. Salts are crystallized into different systems: the (N-Xy-Py)(TCNQ)2(CH3CN) structure belongs to the orthorhombic system, while the (N-Xy-iQn)(TCNQ)2 structure belongs to the triclinic system. Crystals of salt 1 contain dimerized stacks of anion-radicals of the ABAB type, while the stacks in structure 2 are tetramerized. This structural distortion does not facilitate high electrical conductivity, which is confirmed by the IR spectral data: the spectra of salts 1 and 2 do not exhibit any specific features of high-conductivity TCNQ salts (continuous absorption and anomalous line broadening). This fact can be caused by the Peierls instability, which induces dimerization of stacks in crystals of salt 1 and tetramerization of stacks in crystals of salt 2. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Crystallography Reports Springer Journals

Crystal Structure of Anion-Radical Salts of 7,7,8,8-tetracyanoquinodimethane with N-xylyl-pyridinium and N-xylyl-isoquinolinium Cations

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References (19)

Publisher
Springer Journals
Copyright
Copyright © Pleiades Publishing, Inc. 2022. ISSN 1063-7745, Crystallography Reports, 2022, Vol. 67, No. 3, pp. 356–363. © Pleiades Publishing, Inc., 2022. Russian Text © The Author(s), 2022, published in Kristallografiya, 2022, Vol. 67, No. 3, pp. 384–391.
ISSN
1063-7745
eISSN
1562-689X
DOI
10.1134/s1063774522030191
Publisher site
See Article on Publisher Site

Abstract

Novel anion-radical salts of 7,7,8,8-tetracyanoquinodimethane (TCNQ) with N-xylyl-pyridinium and N-xylyl-isoquinolinium cations of complex composition ((N-Xy-Py)(TCNQ)2(CH3CN) (1) and (N-Xy-iQn)(TCNQ)2 (2), respectively) have been synthesized. The crystal and molecular structures of 1 and 2 are determined using X-ray diffraction (XRD) analysis. Salts are crystallized into different systems: the (N-Xy-Py)(TCNQ)2(CH3CN) structure belongs to the orthorhombic system, while the (N-Xy-iQn)(TCNQ)2 structure belongs to the triclinic system. Crystals of salt 1 contain dimerized stacks of anion-radicals of the ABAB type, while the stacks in structure 2 are tetramerized. This structural distortion does not facilitate high electrical conductivity, which is confirmed by the IR spectral data: the spectra of salts 1 and 2 do not exhibit any specific features of high-conductivity TCNQ salts (continuous absorption and anomalous line broadening). This fact can be caused by the Peierls instability, which induces dimerization of stacks in crystals of salt 1 and tetramerization of stacks in crystals of salt 2.

Journal

Crystallography ReportsSpringer Journals

Published: Jun 1, 2022

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