The rich stereochemistry of eight-vertex polyhedra: A continuous shape measures study
The rich stereochemistry of eight-vertex polyhedra: A continuous shape measures study
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DOI：
10.1002/chem.200400799
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发表时间：
2005-02-18
影响因子：
4.3
通讯作者：
Alvarez, S
中科院分区：
文献类型：
--
作者：
Casanova, D;Llunell, M;Alvarez, S
基于连续形状测度（CShM），对多面体八顶点结构进行了立体化学研究。参考多面体，形状图，和最小失真相互转换路径的八顶点多面体和多边形结构内的CShM框架。这些立体化学工具的应用进行了分析，为几个家庭的实验结构：1）配位多面体的分子过渡金属配位化合物，电子构型和配体分类; 2）边键合多面体，包括立方烷结构，雄黄，和金属簇; 3）八核过渡金属超分子结构;和4）在无机固体中的扩展结构的配位多面体。结构分类被证明是大大方便了这些工具，和检测不太常见的结构，如gyrobifastigium，是简单的。
A stereochemical study of polyhedral eight-vertex structures is presented, based on continuous shape measures (CShM). Reference polyhedra, shape maps, and minimal-distortion interconversion paths are presented for eight-vertex polyhedral and polygonal structures within the CShM framework. The application of these stereochemical tools is analyzed for several families of experimental structures: 1) coordination polyhedra of molecular transition-metal coordination compounds, classified by electron configuration and ligands; 2) edge-bonded polyhedra, including cubane structures, realgar, and metal clusters; 3) octanuclear transition-metal supramolecular architectures; and 4) coordination polyhedra in extended structures in inorganic solids. Structural classification is shown to be greatly facilitated by these tools, and the detection of less common structures, such as the gyrobifastigium, is straightforward.