title: Exceptionally high acetylene uptake in a microporous metal-organic framework with open metal sites.
abstract: Six prototype microporous metal-organic frameworks (MOFs) HKUST-1, MOF-505, MOF-508, MIL-53, MOF-5, and ZIF-8 with variable structures and porosities were examined for their acetylene storage, highlighting HKUST-1 as the highest acetylene storage material ever reported with an uptake of 201 cm(3)/g at 295 K and 1 atm. To locate the acetylene binding sites within HKUST-1, neutron powder diffraction studies on acetylene loaded HKUST-1 were carried out and have conclusively established the significant contribution of open Cu(2+) sites for acetylene storage by their strong preferred interactions with acetylene molecules. The binding properties of acetylene gas at different sites were further investigated by first-principles calculations.
authors.affiliation: Department of Chemistry, University of Texas at San Antonio, San Antonio, Texas 78249-0698, USA.
authors.forename: Shengchang
authors.initials: S
authors.lastname: Xiang
authors.forename: Wei
authors.initials: W
authors.lastname: Zhou
authors.forename: Jose M
authors.initials: JM
authors.lastname: Gallegos
authors.forename: Yun
authors.initials: Y
authors.lastname: Liu
authors.forename: Banglin
authors.initials: B
authors.lastname: Chen