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Porous, Conductive Metal-Triazolates and Their Structural Elucidation by the Charge-Flipping Method

  1. Dr. Felipe Gándara1,
  2. Dr. Fernando J. Uribe-Romo1,
  3. Dr. David K. Britt1,
  4. Dr. Hiroyasu Furukawa1,
  5. Dr. Liao Lei2,
  6. Rui Cheng3,
  7. Prof. Xiangfeng Duan2,
  8. Prof. Michael O'Keeffe1,
  9. Prof. Omar M. Yaghi1,4,5,6,*

Article first published online: 22 JUN 2012

DOI: 10.1002/chem.201103433

Issue

Chemistry - A European Journal

Chemistry - A European Journal

Volume 18, Issue 34, pages 10595–10601, August 20, 2012

Additional Information

How to Cite

Gándara, F., Uribe-Romo, F. J., Britt, D. K., Furukawa, H., Lei, L., Cheng, R., Duan, X., O'Keeffe, M. and Yaghi, O. M. (2012), Porous, Conductive Metal-Triazolates and Their Structural Elucidation by the Charge-Flipping Method. Chem. Eur. J., 18: 10595–10601. doi: 10.1002/chem.201103433

Author Information

  1. 1

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

  2. 2

    Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA 90095 (USA)

  3. 3

    Department of Materials Science and Engineering, University of California, Los Angeles, Los Angeles, CA 90095 (USA)

  4. 4

    NanoCentury. KAIST Institute and Graduate School of EEWS (WCU) (Korea)

  5. 5

    Department of Chemistry, University of California, Berkeley, CA 94720 (USA)

  6. 6

    Molecular Foundry, Division of Materials Sciences, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (USA)

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

Publication History

  1. Issue published online: 10 AUG 2012
  2. Article first published online: 22 JUN 2012
  3. Manuscript Received: 11 NOV 2011

Funded by

  • U.S. Department of Energy. Grant Number: DE-FG02-08ER15935
  • Spain Ministry of Education

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Keywords:

  • charge flipping;
  • electrical conductivity;
  • metal-organic frameworks;
  • porous materials;
  • X-ray diffraction

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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