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Issue 11, 2017, Issue in Progress
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Solid-state structure and electronic states of hydrogen-bonded dimer of pyridyl-substituted tetrathiafulvalene salted with PF6

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Abstract

Hydrogen bonding was investigated in a newly prepared salt of pyridyl-substituted tetrathiafulvalene (TTFPy) that formed a dimer structure by hydrogen bonding and was salted with PF6 anions, namely, (TTFPy2H)PF6 (1). Structural analysis of the salt by single-crystal X-ray diffraction and temperature-dependent FTIR spectra and measurements of its electrical conductivity and dielectric properties were performed. Thermal fluctuations were investigated for protons between two TTFPy molecules. An anisotropic dielectric anomaly was observed owing to local proton transfer between two pyridyl moieties. This behavior was well explained by a model of Debye-type dipole relaxation. In addition, DFT calculations showed that the dipole originated from local proton transfer, but the dipole moment in a network of TTFPy⋯H+⋯TTFPy dimers was amplified by a factor of 2 owing to coupling with the electronic polarization of TTFPy moieties.

Graphical abstract: Solid-state structure and electronic states of hydrogen-bonded dimer of pyridyl-substituted tetrathiafulvalene salted with PF6−

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Publication details

The article was received on 06 Dec 2016, accepted on 09 Jan 2017 and first published on 18 Jan 2017


Article type: Paper
DOI: 10.1039/C6RA27814K
Citation: RSC Adv., 2017,7, 6236-6241
  • Open access: Creative Commons BY license
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    Solid-state structure and electronic states of hydrogen-bonded dimer of pyridyl-substituted tetrathiafulvalene salted with PF6

    T. Kanetou, R. Tsunashima, N. Hoshino and T. Akutagawa, RSC Adv., 2017, 7, 6236
    DOI: 10.1039/C6RA27814K

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