利用电子衍射三维断层重构进行沸石分子筛材料的结构解析

Zeolite materials are one of the most important families of micro-porous materials. They have diverse industrial applications in catalysis, separation and ion exchange. These materials have very narrow pore size distributions, well-defined pore shapes and large surface areas. Structure characterization of porous materials is essential for understanding and improving the properties of the porous materials, as well as for applications and design of new materials. Porous materials have complex structures with large unit cells, which often make the structure determination difficult due to a lack of suitable structure determination technique. Recently, a new technique, so called electron diffraction tomography has been developed and well demonstrated in the structure determination of nanometer sized crystalline materials. In our proposal we will try to solve complex zeolite material structures, using the electron diffraction tomography method. A series of novel zeolite materials aluminosilicate PST-2, aluminophosphate PST-5 and PST-6 are chosen as the study candidates. In our plan, different techniques and applications such as HRTEM images, electron diffraction and powder X-ray diffraction will be complementary combined in the structure determination procedures. The aim of this proposal is hunting high application potential zeolite materials, and finding a more suitable way for the structure determination of novel zelite materials.

沸石分子筛材料是微孔晶体材料中的重要家族。其卓越的性能诸如离子交换性、扩散与吸附性、择形选择性与催化活性以及它们在主客体组装化学所发挥的作用都取决于它们独特的孔道结构特征。然而，由于这类材料的晶体结构通常具有较大的单胞并且结构复杂，还是有许多新型沸石分子筛材料的原子结构受技术手段的限制而没有被解析出来。结构信息的不明确严重地限制了新型材料的性能研究以及应用。本项目将利用电子衍射的三维断层重构技术，并结合高分辨电子显微学以及X射线粉末衍射等多种实验技术手段，解决新型沸石分子筛材料的骨架结构，进而寻找具有卓越性能的新型分子筛材料，并且探索对具有复杂结构的沸石分子筛材料行之有效的结构解析新方法。

沸石分子筛材料是微孔晶体材料中的重要家族。其卓越的性能诸如离子交换性、扩散与吸附性、择形选择性与催化活性以及它们在主客体组装化学所发挥的作用都取决于它们独特的孔道结构特征。然而，由于这类材料的晶体结构通常具有较大的单胞并且结构复杂，还是有许多新型沸石分子筛材料的原子结构受技术手段的限制而没有被解析出来。结构信息的不明确严重地限制了新型材料的性能研究以及应用。本项目将利用电子衍射的三维断层重构技术，并结合高分辨电子显微学以及X射线粉末衍射等多种实验技术手段，解决新型沸石分子筛材料的骨架结构，进而寻找具有卓越性能的新型分子筛材料，并且探索对具有复杂结构的沸石分子筛材料行之有效的结构解析新方法。本项目按照研究计划，利用三维电子衍射等实验技术手段，报道了两种新型分子筛材料，并尝试利用电子显微学方法对金属有机骨架材料（MOF）进行晶体学分析，逐渐归纳出三维电子衍射技术与粉末X-射线衍射技术相结合在结晶多孔材料结构解析中的可行方案。在J. Am. Chem. Soc.、Angew. Chem. Int. Ed.等期刊中发表了多篇学术论文。