Synthesis, characterization and sorption properties of NH 2-MIL-47

Matthias Vandichel, Karen Leus, Sarah Couck, Gauthier Vanhaelewyn, Ying Ya Liu, Guy B. Marin, Isabel Van Driessche, Diederik Depla, Michel Waroquier, Veronique Van Speybroeck, Joeri F.M. Denayer, Pascal Van Der Voort

Research output: Contribution to journalArticle

Abstract

An amino functionalized vanadium-containing Metal Organic Framework, NH 2-MIL-47, has been synthesized by a hydrothermal reaction in an autoclave. Alternatively, a synthesis route via microwave enhanced irradiation has been optimized to accelerate the synthesis. The NH 2-MIL-47 exhibits the same topology as MIL-47, in which the V center is octahedrally coordinated. After an exchange procedure in DMF the V +III center is oxidized to V +IV, which is confirmed by EPR and XPS measurements. The CO 2 and CH 4 adsorption properties have been evaluated and compared to MIL-47, showing that both MOFs have an almost similar adsorption capacity and affinity for CO 2. DFT-based molecular modeling calculations were performed to obtain more insight into the adsorption positions for CO 2 in NH 2-MIL-47. Furthermore our calculated adsorption enthalpies agree well with the experimental values.

Original languageEnglish (Ireland)
Pages (from-to)15562-15570
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume14
Issue number44
DOIs
Publication statusPublished - 28 Nov 2012

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