ISIS Neutron and Muon Source Data Journal

Explore the Role of Methyl Groups on Guest Binding in two Metal-Organic Frameworks

Abstract: We seek to develop new stable MOFs for practical separation and storage of CO2 and light hydrocarbons and request 3 days on WISH to study the preferred binding sites of adsorbed gas molecules (CO2 and C2D2-4) within two related MOFs (MFM-305 and MFM-305-deCH3). The role of the –CH3 functional group on guest binding has been very rarely characterised experimentally, not least because of the invisibility of the protons by X-ray experiments. The high resolution, low background and large d-spacing capabilities of WISH make it ideal for analysing the precise locations of gas molecules within these porous MOFs and to define the preferred orientations of molecules with respect to the binding sites (i.e.,–CD3) on the pore surface. This study will reveal key structural insights into the exciting gas adsorption of these MOFs.

Principal Investigator: Professor Sihai Yang
Experimenter: Miss Gemma Smith
Experimenter: Mr Thien Duong Duc
Experimenter: Mr Jack Humby
Experimenter: Mr Weiyao Li
Experimenter: Dr Pascal Manuel
Experimenter: Professor Martin Schroder
Experimenter: Mr Harry Godfrey
Experimenter: Professor Sandy Blake

DOI: 10.5286/ISIS.E.RB1720309

ISIS Experiment Number: RB1720309

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; (2018): Explore the Role of Methyl Groups on Guest Binding in two Metal-Organic Frameworks, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720309

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