Synthesis, structure and physical properties of (Trans-ttf-py2)1.5(pf6)·etoh: A molecular conductor with weak ch···n hydrogen bondings

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

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


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.

Original languageEnglish
Article number1081
Pages (from-to)1-11
Number of pages11
Issue number12
Publication statusPublished - 2020 Dec


  • Hydrogen bonding
  • Molecular conductor
  • Tetrathiafulvalene


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