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多孔导电金属三唑酸盐及其通过电荷翻转方法进行的结构阐明。

Porous, conductive metal-triazolates and their structural elucidation by the charge-flipping method.

机构信息

Center for Reticular Chemistry, Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA 90095, USA.

出版信息

Chemistry. 2012 Aug 20;18(34):10595-601. doi: 10.1002/chem.201103433. Epub 2012 Jun 22.

DOI:10.1002/chem.201103433
PMID:22730149
Abstract

A new family of porous crystals was prepared by combining 1H-1,2,3-triazole and divalent metal ions (Mg, Mn, Fe, Co, Cu, and Zn) to give six isostructural metal-triazolates (termed MET-1 to 6). These materials are prepared as microcrystalline powders, which give intense X-ray diffraction lines. Without previous knowledge of the expected structure, it was possible to apply the newly developed charge-flipping method to solve the complex crystal structure of METs: all the metal ions are octahedrally coordinated to the nitrogen atoms of triazolate such that five metal centers are joined through bridging triazolate ions to form super-tetrahedral units that lie at the vertexes of a diamond-type structure. The variation in the size of metal ions across the series provides for precise control of pore apertures to a fraction of an Angstrom in the range 4.5 to 6.1 Å. MET frameworks have permanent porosity and display surface areas as high as some of the most porous zeolites, with one member of this family, MET-3, exhibiting significant electrical conductivity.

摘要

一种新的多孔晶体家族是通过将 1H-1,2,3-三唑和二价金属离子(Mg、Mn、Fe、Co、Cu 和 Zn)结合而制备的,得到了六个等结构的金属-三唑盐(称为 MET-1 到 6)。这些材料作为微晶粉末制备,给出强烈的 X 射线衍射线。在没有预期结构的先验知识的情况下,有可能应用新开发的电荷翻转方法来解决 METs 的复杂晶体结构:所有金属离子都与三唑盐的氮原子八面体配位,使得五个金属中心通过桥连三唑盐离子连接在一起,形成位于钻石型结构顶点的超四面体单元。该系列中金属离子的大小变化提供了对孔径的精确控制,范围为 4.5 到 6.1 Å 的分数。MET 骨架具有永久的孔隙率,并显示出高达某些最具多孔性沸石的表面积,该家族的一个成员 MET-3 表现出显著的导电性。

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