ISIS Neutron and Muon Source Data Journal

Exceptionally High Gas Adsorption in a Series of Metal-Organic Frameworks: An Investigation on the Role of Free Functional Groups

Abstract: Porous functional metal-organic framework (MOF) materials show great potential for high capacity gas storage and separation. We seek to develop new materials for carbon capture and acetylene storage and request 2 days on WISH to study the preferred binding sites and locations of adsorbed gas (CO2 and C2D2) molecules within two functionalised MOFs showing record-high adsorption capacities of CO2 and acetylene. In particular, the role of NO2 functional group in guest binding has never been studied before via diffraction. The high resolution, low background and large d-spacing capabilities of WISH make it ideal for analysing the precise locations of gas molecules (particularly for hydrocarbon molecules) within these porous MOF and to define the preferred orientations of molecules with respect to the binding sites (-NH2, -NO2 group) on the pore surface.

Principal Investigator: Professor Sihai Yang
Experimenter: Dr Martin Jones
Experimenter: Professor Sandy Blake
Experimenter: Dr Pascal Manuel
Experimenter: Professor Martin Schroder
Experimenter: Mr Harry Godfrey
Experimenter: Dr Michael Barter
Experimenter: Miss Lydia Briggs
Experimenter: Mr Weiyao Li
Experimenter: Mr Thien Duong Duc

DOI: 10.5286/ISIS.E.RB1700070

ISIS Experiment Number: RB1700070

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Sihai Yang et al; (2017): Exceptionally High Gas Adsorption in a Series of Metal-Organic Frameworks: An Investigation on the Role of Free Functional Groups, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1700070

Data is released under the CC-BY-4.0 license.