TY - JOUR
T1 - Synthesis, characterization and sorption properties of NH 2-MIL-47
AU - Vandichel, Matthias
AU - Leus, Karen
AU - Couck, Sarah
AU - Vanhaelewyn, Gauthier
AU - Liu, Ying Ya
AU - Marin, Guy B.
AU - Driessche, Isabel Van
AU - Depla, Diederik
AU - Waroquier, Michel
AU - Speybroeck, Veronique Van
AU - Denayer, Joeri F.M.
AU - Voort, Pascal Van Der
PY - 2012/11/28
Y1 - 2012/11/28
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/84867969902
U2 - 10.1039/c2cp42137b
DO - 10.1039/c2cp42137b
M3 - Article
AN - SCOPUS:84867969902
SN - 1463-9076
VL - 14
SP - 15562
EP - 15570
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 44
ER -