期刊
CRYSTAL GROWTH & DESIGN
卷 18, 期 6, 页码 3411-3418出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.cgd.8b00126
关键词
-
资金
- Russian Ministry of Education and Science [14.B25.31.0005]
This communication briefly reviews why network topology is an important tool (for understanding, comparing, communicating, designing, and solving crystal structures from powder diffraction data) and then discusses the terms of an IUPAC project dealing with various aspects of network topology. One is the ambiguity in node assignment, and this question is addressed in more detail. First, we define the most important approaches: the all node deconstruction considering all branch points of the linkers, the single node deconstruction considering only components mixed, and the ToposPro standard representation also considering linkers as one node but, if present, takes each metal atom as a separate node. These methods are applied to a number of metal organic framework structures (MOFs, although this is just one example of materials this method is applicable on), and it is concluded that the all node method potentially yields more information on the structure in question but cannot be recommended as the only way of reporting the network topology. In addition, several terms needing definitions are discussed.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据