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Article

Synthesis, Structure and Physical Properties of (trans-TTF-py2)1.5(PF6)·EtOH: A Molecular Conductor with Weak CH∙∙∙N Hydrogen Bondings

1
Department of Chemistry, Graduate School of Science, Tohoku University, 6-3 Aramaki-Aza-Aoba, Aoba-ku, Sendai 980-8578, Japan
2
School of Materials Science and Engineering, Nankai University, Tianjin 300350, China
3
Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
*
Author to whom correspondence should be addressed.
Crystals 2020, 10(12), 1081; https://doi.org/10.3390/cryst10121081
Received: 31 October 2020 / Revised: 24 November 2020 / Accepted: 24 November 2020 / Published: 26 November 2020
(This article belongs to the Special Issue Organic Conductors)
The studies of crystal structures with hydrogen bonds have been actively pursued because of their moderate stabilization energy for constructing unique structures. In this study, we synthesized a molecular conductor based on 2,6-bis(4-pyridyl)-1,4,5,8-tetrathiafulvalene (trans-TTF-py2). Two pyridyl groups were introduced into the TTF skeleton toward the structural exploration in TTF-based molecular conductors involved by hydrogen bonds. In the obtained molecular conductor, (trans-TTF-py2)1.5(PF6)·EtOH, short contacts between the pyridyl group and the hydrogen atom of the TTF skeleton were observed, indicating that hydrogen bonding interactions were introduced in the crystal structure. Spectroscopic measurements and conductivity measurement revealed semiconducting behavior derived from π-stacked trans-TTF-py2 radical in the crystal structure. Finally, these results are discussed with the quantified hydrogen bonding stabilization energy, and the band calculation of the crystal obtained from density functional theory calculation. View Full-Text
Keywords: tetrathiafulvalene; molecular conductor; hydrogen bonding tetrathiafulvalene; molecular conductor; hydrogen bonding
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MDPI and ACS Style

Koyama, S.; Kawai, M.; Takaishi, S.; Yamashita, M.; Hoshino, N.; Akutagawa, T.; Kanno, M.; Iguchi, H. Synthesis, Structure and Physical Properties of (trans-TTF-py2)1.5(PF6)·EtOH: A Molecular Conductor with Weak CH∙∙∙N Hydrogen Bondings. Crystals 2020, 10, 1081. https://doi.org/10.3390/cryst10121081

AMA Style

Koyama S, Kawai M, Takaishi S, Yamashita M, Hoshino N, Akutagawa T, Kanno M, Iguchi H. Synthesis, Structure and Physical Properties of (trans-TTF-py2)1.5(PF6)·EtOH: A Molecular Conductor with Weak CH∙∙∙N Hydrogen Bondings. Crystals. 2020; 10(12):1081. https://doi.org/10.3390/cryst10121081

Chicago/Turabian Style

Koyama, Shohei, Morio Kawai, Shinya Takaishi, Masahiro Yamashita, Norihisa Hoshino, Tomoyuki Akutagawa, Manabu Kanno, and Hiroaki Iguchi. 2020. "Synthesis, Structure and Physical Properties of (trans-TTF-py2)1.5(PF6)·EtOH: A Molecular Conductor with Weak CH∙∙∙N Hydrogen Bondings" Crystals 10, no. 12: 1081. https://doi.org/10.3390/cryst10121081

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