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UiO-66 (Zr) is a metal-organic framework known for its thermal and chemicalstability and wide range of possible applications. In particular, this materialhas high separation selectivity of various hydrocarbon mixtures. Moreover, itis was shown that the performance depends on the hydroxylation state ofmaterial (reversible phase transition $Zr_{6}O_{4}(OH)_{4} {\longrightarrow}Zr_{6}O_{6}$ at 250 - 300 ${\deg}C)$. Despite all the attention the UiO-66received over past few years, the impact of the dehydroxylation on itsproperties remains poorly understood. In this contribution we apply $^{2}$H NMRexperimental method in order to compare the mobility of butane isomers inhydroxylated and dehydroxylated form of UiO-66. We provide estimations of thetranslational diffusion coefficients and show which hydroxylation state of thematerial has higher separation selectivity. Moreover, the impact of thehydroxylation on the structural mobility of UiO-66 is discussed. Correlationbetween parameters of structural dynamics and the diffusivity of guestmolecules indicates that for the microporous material with small windows evensubtle changes can lead to a tangible improvement of the properties.

Impact of OH-groups on the mobility of linkers and guests in UiO-66 (Zr)