A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure

Using in situ single-crystal X-ray diffraction analysis (SCD), direct structural evidence has been obtained for breathing behaviour of a new flexible MOF COB1. Desolvation of the as-synthesised material results in deformation of the coordination geometries due to flexibility of the bridging ligands,...

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Bibliographic Details
Published in:CrystEngComm 2019, Vol.21 (22), p.3415-3419
Main Authors: Sikiti, Phumile, Bezuidenhout, Charl X, van Heerden, Dewald P, Barbour, Leonard J
Format: Article
Language:English
Subjects:
Breathing
Carbon dioxide
Crystal structure
Crystallography
Crystals
Deformation
Gas pressure
Single crystals
Switches
X ray powder diffraction
X-ray diffraction
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Summary:Using in situ single-crystal X-ray diffraction analysis (SCD), direct structural evidence has been obtained for breathing behaviour of a new flexible MOF COB1. Desolvation of the as-synthesised material results in deformation of the coordination geometries due to flexibility of the bridging ligands, and the framework is capable of switching from a wide-pore to a narrow-pore form, with substantial reduction in guest-accessible volume. Upon exposure to CO2 gas the activated framework breathes and switches back to the wide-pore phase. This breathing behaviour is supported by gas sorption analysis, pressure-gradient differential scanning calorimetry, powder X-ray diffraction analysis and molecular modelling.
ISSN:1466-8033
DOI:10.1039/c9ce00418a