ISIS Neutron and Muon Source Data Journal

Host-guest interactions in flexible SMOFs

Abstract: In the area of metal-organic porous materials, supramolecular metal-organic frameworks (SMOFs) constitute a blooming alternative. Their examples are still scarce when compared to MOFs (metal-organic frameworks), and there is not any study dealing with the crystallographic location of adsorbate molecules within the porous structure. In this proposal we aim to explore a family of SMOFs sustained by pi-pi; stacking interactions that are based on the assembly of wheel-shaped heptanuclear [Cu7(mu-H2O)6(mu-OH)6(mu-adeninato)6]2+ entities. These compounds experience expansion/contraction processes when exposed to different solvent molecules. Thus, we aim to analyse the flexibility of these structures when exposed to certain adsorbates (such as CO2 or H2O), in order to understand the structural changes taking place on SMOFs during the host-guest interaction (i.e. SMOF•••CO2/H2O).

Principal Investigator: Dr Oscar Castillo
Experimenter: Mr Rubén Pérez
Experimenter: Dr Manuel de Pedro
Experimenter: Dr Sonia Pérez
Experimenter: Dr Ivan da Silva Gonzalez
Experimenter: Dr Garikoitz Beobide
Experimenter: Professor Antonio Luque
Experimenter: Mr Jon Pascual

DOI: 10.5286/ISIS.E.RB1720091

ISIS Experiment Number: RB1720091

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 Oscar Castillo et al; (2017): Host-guest interactions in flexible SMOFs, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720091

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