Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational stud - Sorbonne Université Access content directly
Journal Articles Physical Chemistry Chemical Physics Year : 2016

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

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.
Fichier principal
Vignette du fichier
c5cp06798g.pdf (2.73 Mo) Télécharger le fichier
Origin Publication funded by an institution
Loading...

Dates and versions

hal-01270679 , version 1 (08-02-2016)

Licence

Identifiers

Cite

Thomas D. Bennett, Tanya K. Todorova, Emma F. Baxter, David G. Reid, Christel Gervais, et al.. Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational stud. Physical Chemistry Chemical Physics, 2016, 18 (3), pp.2192-2201. ⟨10.1039/c5cp06798g⟩. ⟨hal-01270679⟩
171 View
216 Download

Altmetric

Share

Gmail Mastodon Facebook X LinkedIn More