title: Gas adsorption sites in a large-pore metal-organic framework.
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.
authors.affiliation: Materials Design and Discovery Group, Department of Chemistry, University of Michigan, 930 North University Avenue, Ann Arbor, MI 48109, USA.
authors.forename: Jesse L C
authors.initials: JL
authors.lastname: Rowsell
authors.forename: Elinor C
authors.initials: EC
authors.lastname: Spencer
authors.forename: Juergen
authors.initials: J
authors.lastname: Eckert
authors.forename: Judith A K
authors.initials: JA
authors.lastname: Howard
authors.forename: Omar M
authors.initials: OM
authors.lastname: Yaghi