ISIS Neutron and Muon Source Data Journal

QENS Analysis of Methyl Rotational Tunnelling in Functional Metal-Organic Frameworks

Abstract: The development of decorated metal-organic frameworks (MOFs) is important for enhancing gas storage and mixed gas separation systems. This proposed QENS study will investigate the methoxy functional group (-CH3) behaviour in a MOF system and the changes it exhibits upon gas loading. The methoxy functionalised MOF, MFM-300(InOMe), is isostructural to parent, non-functionalised MFM-300(In) enabling the role of linker decoration to be easily attributed to the changes that we anticipate to observe. The proposed study aims to reveal the full nature of methoxy behaviour in an ordered crystalline system, focussing on the potential for methyl rotational tunnelling and how this phenomena changes upon gas loading by analysing the QENS data together with our prior MD, INS and IR studies.

Principal Investigator: Professor Sihai Yang
Experimenter: Mr Weiyao Li
Experimenter: Miss Lydia Briggs
Experimenter: Dr Ian Silverwood
Experimenter: Dr Victoria Garcia Sakai
Experimenter: Professor Martin Schroder
Experimenter: Dr Christopher Marsh

DOI: 10.5286/ISIS.E.RB1820030

ISIS Experiment Number: RB1820030

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): QENS Analysis of Methyl Rotational Tunnelling in Functional Metal-Organic Frameworks, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820030

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