Chem. J. Chinese Universities ›› 2009, Vol. 30 ›› Issue (10): 1919.

• Articles • Previous Articles     Next Articles

Synthesis, Structure and Molecular Configuration of a Series of Ionic Salt Compounds of Pyrophosphate Ester of Thiamine

BAI Feng-Ying1,3, LI Xiao-Tian1*, ZHU Guang-Shan2, XING Yong-Heng3 , ZENG Xiao-Qing4, GE Mao-Fa4   

  1. 1. College of Material Science and Engineering,
    2. State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun 130012, China;
    3. College of Life Science, Liaoning Normal University, Dalian 116029, China;
    4. Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China
  • Received:2009-02-25 Online:2009-10-10 Published:2009-10-10
  • Contact: LI Xiao-Tian. E-mail: xiaotianli@jlu.edu.cn
  • Supported by:

    国家自然科学基金(批准号: 20771051)和辽宁省创新团队基金(批准号: 2007T093)资助.

Abstract:

Ionic salt compounds [TPP·ClO4·H2O](1) and [TPP·PF6·CH3OH](2)(TPP as the pyrophosphate ester of thiamine) were prepared in the methanol system under room temperature, and characterized by elemental analysis, IR spectra, and single X-ray diffraction. Structural analysis shown that they are ionic compounds and there are abundant hydrogen bondings in molecular structures. On the basis of the data of quantum chemical calculation, their potential reaction activity and electronic configuration were also discussed.

Key words: Pyrophosphate ester of thiamin; Hydrogen bond; Crystal structure; Quantum chemical calculation

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