Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine?
CrystEngComm Pub Date: 2018-08-27 DOI: 10.1039/C8CE01231H
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.
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Journal Name：CrystEngComm
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