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Temperature-triggered phase transition in pyridazine hexafluorophosphate

Dong-Yan Wang ,  Li-Li Qin ,  Xue-Li Hou ,  Heng-Yun Ye

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Citation:  Dong-Yan Wang, Li-Li Qin, Xue-Li Hou, Heng-Yun Ye. Temperature-triggered phase transition in pyridazine hexafluorophosphate[J]. Chinese Chemical Letters, 2015, 26(1): 145-148. doi: 10.1016/j.cclet.2014.09.024 shu

Temperature-triggered phase transition in pyridazine hexafluorophosphate

    • 通讯作者: Heng-Yun Ye,
  • 基金项目:

    This work was financially supported by the National Natural Science Foundation of China (No. 91222101). Also we gratefully thank Prof. Ren-Gen Xiong for revising this manuscript. (No. 91222101)

摘要: The pyridazine hexafluorophosphate [C4H5N2]+[PF6]- (1) undergoes a reversible phase transition around 140 K, which was confirmed by the DSC measurement. Variable-temperature crystal structures determined at 293 K and 93 K show that the compound crystallizes in the same space group P21/c, indicating that 1 undergoes an iso-structural phase transition. As the temperature decreases, dielectric measurement of the title compound shows no significant change around the phase transition temperature. Classic hydrogen bonds are found between molecules at 293 K and 93 K with similar packing arrangement. Themost distinct difference between the low temperature and room temperature structures is the order-disorder transition of the hexafluorophosphate anion, which is probably the driving force of the phase transition.

English

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  • 发布日期:  2014-09-28
  • 收稿日期:  2014-08-10
  • 网络出版日期:  2014-09-18
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