ISIS Neutron and Muon Source Data Journal

INS Studies of Cooperative Adsorption of Alkynes in Functional Metal-Organic Frameworks

Abstract: Cooperative adsorption by porous materials shows significant potentials for challenging gas separation, because they often enable adsorbents with enhanced working capacity and selectivity. However, the mechanism on structural dynamics of host-guest binding remains poorly understood. We have recently developed a series of isostructural metal-organic frameworks (MOFs), namely MFU-4L-OH(M) (M = Co, Ni), which exhibit highly cooperative adsorption that results in exceptional binding with alkynes. In situ PXRD and IR spectroscopy suggests the presence of strong binding of alkynes during the cooperative adsorption. We request 5 days on TOSCA to investigate the binding dynamics of alkynes within these MOFs via in situ inelastic neutron scattering (INS) to gain full dynamic insights into sorption mechanism. This study will have significant impacts on removal of trace alkynes from lower olefins, an important process for polymer industry.

Principal Investigator: Professor Sihai Yang
Experimenter: Dr Shan Dai
Experimenter: Mr Benjamin Moore
Local Contact: Dr Svemir Rudic
Experimenter: Professor Martin Schroder
Experimenter: Mr Yuting Chen
Experimenter: Mr Ruichen Zhang
Experimenter: Mr Zhao Gen
Experimenter: Mr Tianze Zhou

DOI: 10.5286/ISIS.E.RB2420005

ISIS Experiment Number: RB2420005

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; (2025): INS Studies of Cooperative Adsorption of Alkynes in Functional Metal-Organic Frameworks, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2420005

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