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

DOI

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.

Identifier
DOI https://doi.org/10.5286/ISIS.E.98003902
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/98003902
Provenance
Creator Mr Weiyao Li; Professor Sihai Yang; Miss Lydia Briggs; Dr Ian Silverwood; Dr Victoria Garcia Sakai; Professor Martin Schroder; Dr Christopher Marsh
Publisher ISIS Neutron and Muon Source
Publication Year 2021
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2018-09-20T08:30:00Z
Temporal Coverage End 2018-09-26T19:52:52Z