Gas adsorption sites in a large-pore metal-organic framework |
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Authors: | Rowsell Jesse L C Spencer Elinor C Eckert Juergen Howard Judith A K Yaghi Omar M |
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Institution: | Materials Design and Discovery Group, Department of Chemistry, University of Michigan, 930 North University Avenue, Ann Arbor, MI 48109, USA. |
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Abstract: | The primary adsorption sites for Ar and N2 within metal-organic framework-5, a cubic structure composed of Zn4O(CO2)6 units and phenylene links defining large pores 12 and 15 angstroms in diameter, have been identified by single-crystal x-ray diffraction. Refinement of data collected between 293 and 30 kelvin revealed a total of eight symmetry-independent adsorption sites. Five of these are sites on the zinc oxide unit and the organic link; the remaining three sites form a second layer in the pores. The structural integrity and high symmetry of the framework are retained throughout, with negligible changes resulting from gas adsorption. |
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