![]() ![]() This work shows that, even in stable metal–organic frameworks that maintain their porosity and crystallinity after moisture exposure, important molecular-level structural changes can still occur during water adsorption due to guest–host interactions such as water-induced bond rearrangements.ĭata supporting the claims and findings of this paper are available within the Supplementary Information or are available upon request from the corresponding author. Through this analysis, insights into changes in crystallographic lattice parameters, water siting information and water-induced defect structure as a response to water loading were obtained. ![]() Herein, a combination of in situ synchrotron powder and single-crystal diffraction, infrared spectroscopy and molecular modelling analysis was used to understand the important role of loading-dependent water effects in a water stable metal–organic framework. In this study, we investigate, for a metal–organic framework that is stable after moisture exposure, what are the reversible, loading-dependent structural changes that occur during water adsorption. Competitive water adsorption can have a significant impact on metal–organic framework performance properties, ranging from occupying active sites in catalytic reactions to co-adsorbing at the most favourable adsorption sites in gas separation and storage applications. ![]()
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