Chemistry and Application of Soft Porous Crystals from PCPs/MOFs
Susumu Kitagawa a
a Institute for Integrated Cell-Material Sciences (WPI-iCeMS), Kyoto University, Nishikyo-ku, Kyoto 615-8510
Proceedings of Dynamic Materials, Crystals and Phenomena Conference (DynaMIC23)
Fribourg, Switzerland, 2023 March 22nd - 24th
Organizers: Jovana Milic and Simon Krause
Invited Speaker, Susumu Kitagawa, presentation 011
Publication date: 15th February 2023

Metal-organic frameworks (MOFs) or porous coordination polymers (PCPs) possess inherent voids that allow the storage, delivery, and separation of substances, particularly gases. Among them, 3rd generation MOFs, called flexible MOFs or soft porous crystals (SPCs),1 -3 exhibit a structural change from crystal to crystal in response to physical and crystalline stimuli. This feature distinguishes them from other porous materials, reminiscent of the induced fit mechanism of bioenzymes and the cooperative phenomenon of hemoglobin. In contrast to rigid materials showing a Langmuir type I isotherm, SPCs possess a sigmoidal isotherm and higher usable capacity and efficient recognition of guest species. The flexibility depends not only on the binding ability and mobility of unit ligands and metal ions but also on other factors, including the deformation of the entire framework as a result of the guest molecules in the pores. Strategies using ligand functionalization have been developed to investigate the properties but have mainly focused on discovering and understanding SPC phenomena in SPCs. This trend has now shifted towards controlling the adsorption properties for practical applications. This talk provides an essential and accessible overview of the historical background of the chemistry of SPCs, their features, and outlook as 4th generation MOFs,2,3 in particular, design and synthesis, dynamic structure analysis, flexibility and function, and theoretical treatment and interpretation of the mechanism, as well as their applications.4,5

[1] S.Horike, S.Shimomura, and S. Kitagawa, Nat.Chem.,2009,1,695.   [2] S.Kitagawa, Acc.Chem.Res., 2017,50,514.  [3]S. Kraus, N.Hosono, and S.Kitagawa, Angew.Chem.Int.Ed., 2020.59.15325.   [4]S.Horike and S.Kitagawa, Nature Materials,2022,21,983.  [5] Y.Su, K.Otake, J.-J. Zheng, S.Horike, S.Kitagawa, C.Gu,Nature, 2022,611,289.



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