Guest-responsive thermal expansion in the Zr-porphyrin metal-organic framework PCN-222

15 March 2022, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


We use powder X-ray diffraction under variable temperature to study the thermal expansion of the metal- organic framework PCN-222 with varying amounts of guest content. The thermal expansion increases drastically in magnitude as the guest occupancy is reduced. Upon cooling, the thermal expansion along c changes sign from negative to positive and the volumetric expansivity nearly quadruples in magnitude. This seemingly results from a reorganisation of the guest molecules and so our results highlight the intriguing interplay between framework dynamics and guest occupancy in mesoporous metal-organic frameworks.


metal-organic frameworks
thermal expansion
powder X-ray diffraction

Supplementary materials

Supporting information for "Guest-responsive thermal expansion in the Zr-porphyrin metal-organic framework PCN-222"
Experimental details, XRD patterns, variable-temperature lattice parameters, TGA and DSC, BET measurements, and NMR sprectra


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