中文摘要：

将Ni（ClO4）2和NH4PF6分别与硫胺素焦磷酸在甲醇体系中反应，得到了两个新的离子盐型化合物[TPP·ClO4·H2O]（1）和[TPP·PF6·CH3OH]（2）（TPP为硫胺素焦磷酸酯）．通过元素分析、红外光谱及X射线衍射等方法对它们进行了表征．结构分析表明，它们属于离子型化合物，而且硫胺素焦磷酸与高氯酸根，六氟磷酸根形成了大量的氢键网络结构．结合计算结果进一步分析了化合物的活性及电子结构特征．

英文摘要：

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.