2020年11月26日
Synthesis, Structure and Physical Properties of (trans-TTF-py2)1.5(PF6)·EtOH: A Molecular Conductor with Weak CH∙∙∙N Hydrogen Bondings
Crystals
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- 巻
- 10
- 号
- 12
- 開始ページ
- 1081
- 終了ページ
- 1081
- 記述言語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.3390/cryst10121081
- 出版者・発行元
- MDPI AG
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.
- ID情報
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- DOI : 10.3390/cryst10121081
- eISSN : 2073-4352