Smeets Stef, Zones Stacey I, Xie Dan, Palatinus Lukáš, Pascual Jesus, Hwang Son-Jong, Schmidt Joel E, McCusker Lynne B
Department of Materials and Environmental Chemistry, Stockholm University, 10691, Stockholm, Sweden.
Kavli Institute of Nanoscience, Delft University of Technology, 2629, HZ, Delft, The Netherlands.
Angew Chem Int Ed Engl. 2019 Sep 9;58(37):13080-13086. doi: 10.1002/anie.201905049. Epub 2019 Aug 21.
The high-silica zeolite SSZ-27 was synthesized using one of the isomers of the organic structure-directing agent that is known to produce the large-pore zeolite SSZ-26 (CON). The structure of the as-synthesized form was solved using multi-crystal electron diffraction data. Data were collected on eighteen crystals, and to obtain a high-quality and complete data set for structure refinement, hierarchical cluster analysis was employed to select the data sets most suitable for merging. The framework structure of SSZ-27 can be described as a combination of two types of cavities, one of which is shaped like a heart. The cavities are connected through shared 8-ring windows to create straight channels that are linked together in pairs to form a one-dimensional channel system. Once the framework structure was known, molecular modelling was used to find the best fitting isomer, and this, in turn, was isolated to improve the synthesis conditions for SSZ-27.
使用已知能生成大孔沸石SSZ - 26（CON）的有机结构导向剂的一种异构体合成了高硅沸石SSZ - 27。通过多晶体电子衍射数据解析了合成态的结构。在18个晶体上收集了数据，为了获得用于结构精修的高质量完整数据集，采用层次聚类分析来选择最适合合并的数据集。SSZ - 27的骨架结构可描述为两种类型孔穴的组合，其中一种形状像心脏。这些孔穴通过共用的8元环窗口相连，形成成对连接在一起的直通道，构成一维通道系统。一旦知道了骨架结构，就使用分子模拟来寻找最佳拟合异构体，进而分离出该异构体以改善SSZ - 27的合成条件。
