Structure and properties of Al-MIL-53-ADP, a breathing MOF based on the aliphatic linker molecule adipic acid
作者： Helge Reinsch , Renjith S. Pillai , Renée Siegel , Jürgen Senker , Alexandra Lieb
DOI: 10.1039/C5DT03510D
关键词:
摘要: 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 terephthalate Al-MIL-53 on 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. crystal structure anhydrous compound Al-MIL-53-ADP-np (np narrow determined by combination forcefield-based computations and Rietveld refinement powder X-ray diffraction data while hydrated form derived computationally force field methods Density Functional Theory calculations. Both structures were further supported 1H, 13C 27Al high-resolution NMR MAS 1D coupled again with simulations. characterised means vibrational spectroscopy, elemental analysis, thermogravimetry water vapour sorption.
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