ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Exploring guest-induced breathing behaviour in a copper-based metal-organic framework using neutron diffraction
Abstract: We have synthesised a new polycrystalline microporous MOF with the formula [Cu2(?-ace)2(?3-imp)2]n (where ace stands for acetate and imp for imidazo[4,5-b]pyridine), named as EHU-11-?. Upon adsorption of water or methanol vapour, PXRD data indicates a reversible transformation into a new crystal structure, EHU-11-?. Although this transformation involves the breaking and reformation of several bonds, both the space group and the coordination framework topology remain unchanged. In contrast, solvents without hydrogen-bonding groups do not induce any structural changes. This contrasting behaviour appears to be linked to a structural "breathing" mechanism driven by the unique hydrogen-bonding network formed by the adsorbed molecules within the host structure. Therefore, the main goal of this proposal is to obtain neutron diffraction data to determine the positions of water and methanol within the structure to better understand the hydrogen-bonding driven transformation mechanism.
Public release date: 27 November 2028
Principal Investigator: Dr Maite Perfecto-Irigaray
Experimenter: Miss Nerea Landaluce
Experimenter: Dr Garikoitz Beobide
Experimenter: Dr Sonia Pérez
Local Contact: Dr Ivan da Silva Gonzalez
Experimenter: Dr Oscar Castillo
Experimenter: Dr Estibaliz Ruiz Bilbao
DOI: 10.5286/ISIS.E.RB2510377-1
Parent DOI: 10.5286/ISIS.E.RB2510377
ISIS Experiment Number: RB2510377
Part Number: 1
This dataset is NOT yet publicly available.
The release date is: 27 November 2028
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Date of Experiment: 26 November 2025
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:
Dr Maite Perfecto-Irigaray et al; (2025): Exploring guest-induced breathing behaviour in a copper-based metal-organic framework using neutron diffraction, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2510377-1
Data is released under the CC-BY-4.0 license.
