Structure and properties of Al-MIL-53-ADP, a breathing MOF based on the aliphatic linker molecule adipic acid.
The new aluminium based metal-organic framework [Al(OH)(O2C-C4H8-CO2)]·H2O denoted as Al-MIL-53-ADP-lp (lp stands for large pore) was synthesised under solvothermal conditions. This solid is an analogue of the archetypical aluminium terephthalate Al-MIL-53 based on the aliphatic single-chain linker molecule adipic acid (H2ADP, hexanedioic acid). In contrast to its aromatic counterparts, Al-MIL-53-ADP exhibits a structural breathing behaviour solely upon dehydration/rehydration. The crystal structure of the anhydrous compound denoted as Al-MIL-53-ADP-np (np stands for narrow pore) was determined by a combination of forcefield-based computations and Rietveld refinement of the powder X-ray diffraction data while the structure of the hydrated form Al-MIL-53-ADP-lp was derived computationally by a combination of force field based methods and Density Functional Theory calculations. Both structures were further supported by (1)H, (13)C and (27)Al high-resolution NMR MAS 1D data coupled again with simulations. Al-MIL-53-ADP was further characterised by means of vibrational spectroscopy, elemental analysis, thermogravimetry and water vapour sorption.
Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo, Norway. helge.reinsch@smn.uio.no.
Helge
H
Reinsch
Institut Charles Gerhard Montpellier, UMR-5253 Université Montpellier CNRS ENSCM, Place E. Bataillon 34095, Montpellier cedex 05, France. guillaume.maurin@univ-montp2.fr.
Renjith S
RS
Pillai
Inorganic Chemistry III, University Bayreuth, Universitätsstaße. 30, 95447 Bayreuth, Germany.
Renée
R
Siegel
Inorganic Chemistry III, University Bayreuth, Universitätsstaße. 30, 95447 Bayreuth, Germany.
Jürgen
J
Senker
Institute of Chemistry, Universitätsplatz 2, 39106, Magdeburg, Germany.
Alexandra
A
Lieb
Institut Charles Gerhard Montpellier, UMR-5253 Université Montpellier CNRS ENSCM, Place E. Bataillon 34095, Montpellier cedex 05, France. guillaume.maurin@univ-montp2.fr.
Guillaume
G
Maurin
Institute of Inorganic Chemistry, Christian-Albrechts-Universität Kiel, Max-Eyth-Straße 2, 24118 Kiel, Germany. stock@ac.uni-kiel.de.
Norbert
N
Stock