title: Locating Gases in Porous Materials: Cryogenic Loading of Fuel-Related Gases Into a Sc-based Metal-Organic Framework under Extreme Pressures.
abstract: An alternative approach to loading metal organic frameworks with gas molecules at high (kbar) pressures is reported. The technique, which uses liquefied gases as pressure transmitting media within a diamond anvil cell along with a single-crystal of a porous metal-organic framework, is demonstrated to have considerable advantages over other gas-loading methods when investigating host-guest interactions. Specifically, loading the metal-organic framework Sc2BDC3 with liquefied CO2 at 2 kbar reveals the presence of three adsorption sites, one previously unreported, and resolves previous inconsistencies between structural data and adsorption isotherms. A further study with supercritical CH4 at 3-25 kbar demonstrates hyperfilling of the Sc2 BDC3 and two high-pressure displacive and reversible phase transitions are induced as the filled MOF adapts to reduce the volume of the system.
authors.affiliation: EaStChem School of Chemistry and Centre for Science at Extreme Conditions, University of Edinburgh, David Brewster road, Joseph Black Building, Edinburgh EH9 3FJ (UK).
authors.forename: Jorge
authors.initials: J
authors.lastname: Sotelo
authors.affiliation: School of Engineering and Centre for Science at Extreme Conditions, University of Edinburgh, Peter Gurthrie Tait Road, Erskine Williamson Building, Edinburgh EH9 3FD (UK).
authors.forename: Christopher H
authors.initials: CH
authors.lastname: Woodall
authors.affiliation: Diamond Light Source, Harwell Campus, Didcot, OX11 ODE (UK).
authors.forename: Dave R
authors.initials: DR
authors.lastname: Allan
authors.affiliation: School of Physics and Centre for Science at Extreme Conditions, University of Edinburgh, Peter Gurthrie Tait Road, Erskine Williamson Building, Edinburgh EH9 3FD (UK).
authors.forename: Eugene
authors.initials: E
authors.lastname: Gregoryanz
authors.affiliation: School of Physics and Centre for Science at Extreme Conditions, University of Edinburgh, Peter Gurthrie Tait Road, Erskine Williamson Building, Edinburgh EH9 3FD (UK).
authors.forename: Ross T
authors.initials: RT
authors.lastname: Howie
authors.affiliation: School of Engineering and Centre for Science at Extreme Conditions, University of Edinburgh, Peter Gurthrie Tait Road, Erskine Williamson Building, Edinburgh EH9 3FD (UK).
authors.forename: Konstantin V
authors.initials: KV
authors.lastname: Kamenev
authors.affiliation: School of Chemistry, Newcastle University, Newcastle upon Tyne, NE1 7RU (UK).
authors.forename: Michael R
authors.initials: MR
authors.lastname: Probert
authors.affiliation: EaStCHEM School of Chemistry, Purdie Building, University of St. Andrews, St. Andrews KY16 9ST (UK).
authors.forename: Paul A
authors.initials: PA
authors.lastname: Wright
authors.affiliation: EaStChem School of Chemistry and Centre for Science at Extreme Conditions, University of Edinburgh, David Brewster road, Joseph Black Building, Edinburgh EH9 3FJ (UK). smoggach@staffmail.ed.ac.uk.
authors.forename: Stephen A
authors.initials: SA
authors.lastname: Moggach
keywords: X-ray crystallography; gas separation; high-pressure phases; metal-organic frameworks; structural science