論文

査読有り
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
  • Shohei Koyama
  • ,
  • Morio Kawai
  • ,
  • Shinya Takaishi
  • ,
  • Masahiro Yamashita
  • ,
  • Norihisa Hoshino
  • ,
  • Tomoyuki Akutagawa
  • ,
  • Manabu Kanno
  • ,
  • Hiroaki Iguchi

10
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.

リンク情報
DOI
https://doi.org/10.3390/cryst10121081
URL
https://www.mdpi.com/2073-4352/10/12/1081/pdf
ID情報
  • DOI : 10.3390/cryst10121081
  • eISSN : 2073-4352

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