The Structure of the Aluminum Fumarate Metal-Organic Framework A520

The synthesis of the commercially available aluminum fumarate sample A520 has been optimized and its structure analyzed through a combination of powder diffraction, solid‐state NMR spectroscopy, molecular simulation, IR spectroscopy, and thermal analysis. A520 is an analogue of the MIL‐53(Al)‐BDC solid, but with a more rigid behavior. The differences between the commercial and the optimized samples in terms of defects have been investigated by in situ IR spectroscopy and correlated to their catalytic activity for ethanol dehydration. The aluminum fumarate sample BASF A520 synthesis has been optimized and its structure analyzed through a combination of X‐ray powder diffraction, solid‐state NMR spectroscopy, molecular simulation, IR spectroscopy, and thermal analysis. A520 is an analogue of the MIL‐53(Al)‐BDC solid, but with a more rigid behavior. The impact of the synthesis routes in terms of defects and catalytic behavior have finally been correlated.