期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 18, 期 3, 页码 2192-2201出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cp06798g
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资金
- Trinity Hall (University of Cambridge)
- UK MRC
- French National Research Agency (ANR project: HOPFAME) [ANR-13-BS07-0002-01]
- Foundation de l'Orangerie
- GENCI (CINES/TGCC/IDRIS) through Grant [2015-097343, 2015-091461]
- FWO
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 C-13 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 C-13 NMR spectra, that amorphization and defects in the materials are linked.
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