Guest-mediated phase transitions in a flexible pillared-layered metal-organic framework under high-pressure

Gemma F. Turner, Scott C. McKellar, David R. Allan, Anthony K. Cheetham, Sebastian Henke, Stephen A. Moggach

Research output: Contribution to journalArticlepeer-review

21 Citations (Scopus)


The guest-dependent flexibility of the pillared-layered metal-organic framework (MOF), Zn2bdc2dabco·X(guest), where guest = EtOH, DMF or benzene, has been examined by high-pressure single crystal X-ray diffraction. A pressure-induced structural phase transition is found for the EtOH- and DMF-included frameworks during compression in a hydrostatic medium of the guest species, which is dependent upon the nature and quantity of the guest in the channels. The EtOH-included material undergoes a phase transition fromP4/mmmtoC2/mat 0.69 GPa, which is accompanied by a change in the pore shape from square to rhombusviasuper-filling of the pores. The DMF-included material undergoes a guest-mediated phase transition fromI4/mcmtoP4/mmmat 0.33 GPaviadisordering of the DMF guest. In contrast, the benzene-included framework features a structure with rhombus-shaped channels at ambient pressure and shows direct compression under hydrostatic pressure. These results demonstrate the large influence of guest molecules on the high-pressure phase behavior of flexible MOFs. Guest-mediated framework flexibility is useful for engineering MOFs with bespoke pore shapes and compressibility.

Original languageEnglish
Pages (from-to)13793-13801
Number of pages9
JournalChemical Science
Issue number41
Publication statusPublished - 7 Nov 2021


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