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Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine

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Abstract

Crystals of tetrafluoroboric acid with tetramethylpyrazine, TMP + HBF4 + H2O (1 : 1 : 2, A), TMP + HBF4 (1 : 1, B) and TMP + HBF4 (1 : 2, C) were synthesized and characterized by physicochemical experimental methods. The crystal structures for A and B were determined at 100 K. Since C undergoes a phase transition at 217/223 K (cooling/heating) the structures were measured at 100 and 250 K. Infinite chains of molecules linked via the hydrogen bonds are present in the crystals A and B. A BF4⋯TMPH22+⋯BF4 assembly was found in the crystal structure of C. The dielectric responses have been measured for all three crystals, A, B and C, in a wide temperature (160–300 K) and frequency range (100 Hz–2 MHz). The mechanism of the phase transition at 217/223 K found in C as well as the origin of the ac conductivity was determined to be related to the dynamics of protons in the hydrogen bonds.

Graphical abstract: Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine

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Publication details

The article was received on 24 Jul 2018, accepted on 24 Aug 2018 and first published on 27 Aug 2018


Article type: Paper
DOI: 10.1039/C8CE01231H
Citation: CrystEngComm, 2018, Advance Article
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    Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine

    M. Rok, P. Szklarz and G. Bator, CrystEngComm, 2018, Advance Article , DOI: 10.1039/C8CE01231H

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