Pore shape modification of a microporous metal–organic framework using high pressure : accessing a new phase with oversized guest molecules
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Pressures up to 0.8 GPa have been used to squeeze a range of sterically "oversized" C5-C8 alkane guest molecules into the cavities of a small-pore Sc-based metal?organic framework. Guest inclusion causes a pronounced reorientation of the aromatic rings of one-third of the terephthalate linkers, which act as "torsion springs", resulting in a fully reversible change in the local pore structure. The study demonstrates how pressure-induced guest uptake can be used to investigate framework flexibility relevant to "breathing" behavior and to understand the uptake of guest molecules in MOFs relevant to hydrocarbon separation.
McKellar , S C , Sotelo , J , Greenaway , A , Mowat , J P S , Kvam , O , Morrison , C A , Wright , P A & Moggach , S A 2016 , ' Pore shape modification of a microporous metal–organic framework using high pressure : accessing a new phase with oversized guest molecules ' Chemistry of Materials , vol 28 , no. 2 , pp. 466-473 . DOI: 10.1021/acs.chemmater.5b02891
Chemistry of Materials
Copyright © 2015 American Chemical Society. This work is made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://dx.doi.org/10.1021/acs.chemmater.5b02891
The authors thank the Royal Society of Edinburgh and the Scottish Government for a fellowship to S.A.M. The authors thank EPSRC (EP/J02077X/1) and Leverhulme Trust for a research project grant (RPG-209) for financial support. They also thank the UK Carr Parinello consortium for allocation of computing time on the EPSRC high performance computing resource ARCHER (managed by the Edinburgh Parallel Computing Centre, the EaSTCHEM Research Computing Facility and the University of Edinburgh ECDF facility).