Porous,Conductive Metal‐Triazolates and Their Structural Elucidation by the Charge‐Flipping Method |
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| Authors: | Dr. Felipe Gándara Dr. Fernando J. Uribe‐Romo Dr. David K. Britt Dr. Hiroyasu Furukawa Dr. Liao Lei Rui Cheng Prof. Xiangfeng Duan Prof. Michael O'Keeffe Prof. Omar M. Yaghi |
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| Affiliation: | 1. Center for Reticular Chemistry, Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA 90095 (USA);2. Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA 90095 (USA);3. Department of Materials Science and Engineering, University of California, Los Angeles, Los Angeles, CA 90095 (USA);4. NanoCentury. KAIST Institute and Graduate School of EEWS (WCU) (Korea);5. Department of Chemistry, University of California, Berkeley, CA 94720 (USA);6. Molecular Foundry, Division of Materials Sciences, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (USA) |
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| 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. |
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| Keywords: | charge flipping electrical conductivity metal‐organic frameworks porous materials X‐ray diffraction |
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