High Pressure In Situ Single-Crystal X-Ray Diffraction Reveals Turnstile Linker Rotation Upon Room-Temperature Stepped Uptake of Alkanes.
Dewald P van HeerdenVincent J SmithHimanshu AggarwalLeonard J BarbourPublished in: Angewandte Chemie (International ed. in English) (2021)
The rare availability of suitable single-crystal X-ray diffraction (SCXRD) structural data allows for the direct interpretation of the response of a framework to gas sorption and may lead to the development of improved functional porous materials. We report an in situ SCXRD structural investigation of a flexible MOF subjected to methane, ethane, propane, and butane gas pressures. Supporting theoretical investigations indicate weak host-guest interactions for the crystallographically modelled gaseous guests and, in addition, reveal that a turnstile mechanism facilitates the transport of alkanes through the seemingly nonporous system. Inflections present in the adsorption isotherms are furthermore rationalized as due to gate-opening, but without the expected creation of new accessible space.
Keyphrases
- room temperature
- electron microscopy
- ionic liquid
- high resolution
- dual energy
- metal organic framework
- solid state
- crystal structure
- electronic health record
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- carbon dioxide
- big data
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- single cell
- machine learning
- dna methylation
- magnetic resonance
- anaerobic digestion
- contrast enhanced
- aqueous solution
- double blind