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Locating Gases in Porous Materials: Cryogenic Loading of Fuel-Related Gases Into a Sc-based Metal-Organic Framework under Extreme Pressures

DOI: 10.1002/ange.201506250 DOI Help

Authors: Jorge Sotelo (EaStCHEM School of Chemistry, Joseph Black Building, West Mains Road, Edinburgh) , Christopher Woodall (University of Edinburgh) , Dave Allan (Diamond Light Source) , Eugene Gregoryanz (School of Physics and Centre for Science at Extreme Conditions, The University of Edinburgh) , Ross Howie (University of Edinburgh) , Konstantin Kamenev (University of Edinburgh) , Mike Probert (Newcastle University) , Paul Wright (University of St Andrews) , Stephen Moggach (The University of Edinburgh)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Angewandte Chemie , VOL 127 (45) , PAGES 13530 - 13534

State: Published (Approved)
Published: November 2015

Open Access Open Access

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 Sc2BDC3 and two high-pressure displacive and reversible phase transitions are induced as the filled MOF adapts to reduce the volume of the system.

Journal Keywords: Gastrennung; Hochdruckphasen; Metall-Organische Gerüstverbindungen; Röntgenkristallographie; Strukturaufklärung

Subject Areas: Chemistry


Instruments: I19-Small Molecule Single Crystal Diffraction