Abstract

The synthesis and the crystal structure determination, using a synchrotron microdiffraction setup, of the interwoven analogue of the highly flexible iron­(III) dicarboxylate MIL-88D structure are reported. Unlike its flexible counterpart, MIL-126, or Fe<sup>III</sup><sub>3</sub>O­(H<sub>2</sub>O)<sub>2</sub>(OH)­[(O<sub>2</sub>C)-C<sub>12</sub>H<sub>8</sub>-(CO<sub>2</sub>)]<sub>3</sub>·<i>n</i>(solv), exhibits a rigid structure with an accessible three dimensional (3D) pore system resulting in a Brunauer–Emmett–Teller (BET) surface area over 1700 m<sup>2</sup>·g<sup>–1</sup>. Moreover, a large amount of coordinatively unsaturated Fe sites of +2 and +3 oxidation states are accessible to NO and acetonitrile molecules as shown by infrared spectroscopy. MIL-126 might be thus used for the removal of aromatic N-heterocyclic compounds from fossil fuel streams, as shown here in the efficient capture of indole from model benzothiophene/indole mixtures in heptane/toluene

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