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Issue 3, 2016
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Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational study

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Abstract

The mechanism and products of the structural collapse of the metal–organic frameworks (MOFs) UiO-66, MIL-140B and MIL-140C upon ball-milling are investigated through solid state 13C NMR and pair distribution function (PDF) studies, finding amorphization to proceed by the breaking of a fraction of metal–ligand bonding in each case. The amorphous products contain inorganic–organic bonding motifs reminiscent of the crystalline phases. Whilst the inorganic Zr6O4(OH)4 clusters of UiO-66 remain intact upon structural collapse, the ZrO backbone of the MIL-140 frameworks undergoes substantial distortion. Density functional theory calculations have been performed to investigate defective models of MIL-140B and show, through comparison of calculated and experimental 13C NMR spectra, that amorphization and defects in the materials are linked.

Graphical abstract: Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational study

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Publication details

The article was received on 06 Nov 2015, accepted on 01 Dec 2015 and first published on 02 Dec 2015


Article type: Paper
DOI: 10.1039/C5CP06798G
Citation: Phys. Chem. Chem. Phys., 2016,18, 2192-2201
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    Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational study

    T. D. Bennett, T. K. Todorova, E. F. Baxter, D. G. Reid, C. Gervais, B. Bueken, B. Van de Voorde, D. De Vos, D. A. Keen and C. Mellot-Draznieks, Phys. Chem. Chem. Phys., 2016, 18, 2192
    DOI: 10.1039/C5CP06798G

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