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Synthesis, characterization and sorption properties of NH₂-MIL-47

Karen Leus (UGent) , Sarah Couck, Matthias Vandichel (UGent) , Gauthier Vanhaelewyn (UGent) , Ying-Ya Liu (UGent) , Guy Marin (UGent) , Isabel Van Driessche (UGent) , Diederik Depla (UGent) , Michel Waroquier (UGent) , Veronique Van Speybroeck (UGent) , et al.
(2012) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 14(44). p.15562-15570
Author
Organization
Project
  • EFECTS (Efficient Environmental-Friendly Electro-Ceramics Coating Technology and Synthesis)
Abstract
An amino functionalized vanadium-containing Metal Organic Framework, NH2-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 NH2-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 CO2 and CH4 adsorption properties have been evaluated and compared to MIL-47, showing that both MOFs have an almost similar adsorption capacity and affinity for CO2. DFT-based molecular modeling calculations were performed to obtain more insight into the adsorption positions for CO2 in NH2-MIL-47. Furthermore our calculated adsorption enthalpies agree well with the experimental values.
Keywords
TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, INITIO MOLECULAR-DYNAMICS, CARBON-DIOXIDE CAPTURE, METAL-ORGANIC FRAMEWORKS, PORE-SIZE, HYDROGEN STORAGE, DENSITY FUNCTIONALS, CO2 ADSORPTION, SELECTIVE ADSORPTION

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MLA
Leus, Karen, et al. “Synthesis, Characterization and Sorption Properties of NH₂-MIL-47.” PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 14, no. 44, 2012, pp. 15562–70, doi:10.1039/C2CP42137B.
APA
Leus, K., Couck, S., Vandichel, M., Vanhaelewyn, G., Liu, Y.-Y., Marin, G., … Van Der Voort, P. (2012). Synthesis, characterization and sorption properties of NH₂-MIL-47. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14(44), 15562–15570. https://doi.org/10.1039/C2CP42137B
Chicago author-date
Leus, Karen, Sarah Couck, Matthias Vandichel, Gauthier Vanhaelewyn, Ying-Ya Liu, Guy Marin, Isabel Van Driessche, et al. 2012. “Synthesis, Characterization and Sorption Properties of NH₂-MIL-47.” PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 (44): 15562–70. https://doi.org/10.1039/C2CP42137B.
Chicago author-date (all authors)
Leus, Karen, Sarah Couck, Matthias Vandichel, Gauthier Vanhaelewyn, Ying-Ya Liu, Guy Marin, Isabel Van Driessche, Diederik Depla, Michel Waroquier, Veronique Van Speybroeck, Joeri FM Denayer, and Pascal Van Der Voort. 2012. “Synthesis, Characterization and Sorption Properties of NH₂-MIL-47.” PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 (44): 15562–15570. doi:10.1039/C2CP42137B.
Vancouver
1.
Leus K, Couck S, Vandichel M, Vanhaelewyn G, Liu Y-Y, Marin G, et al. Synthesis, characterization and sorption properties of NH₂-MIL-47. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2012;14(44):15562–70.
IEEE
[1]
K. Leus et al., “Synthesis, characterization and sorption properties of NH₂-MIL-47,” PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 14, no. 44, pp. 15562–15570, 2012.
@article{3047623,
  abstract     = {{An amino functionalized vanadium-containing Metal Organic Framework, NH2-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 NH2-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 CO2 and CH4 adsorption properties have been evaluated and compared to MIL-47, showing that both MOFs have an almost similar adsorption capacity and affinity for CO2. DFT-based molecular modeling calculations were performed to obtain more insight into the adsorption positions for CO2 in NH2-MIL-47. Furthermore our calculated adsorption enthalpies agree well with the experimental values.}},
  author       = {{Leus, Karen and Couck, Sarah and Vandichel, Matthias and Vanhaelewyn, Gauthier and Liu, Ying-Ya and Marin, Guy and Van Driessche, Isabel and Depla, Diederik and Waroquier, Michel and Van Speybroeck, Veronique and Denayer, Joeri FM and Van Der Voort, Pascal}},
  issn         = {{1463-9076}},
  journal      = {{PHYSICAL CHEMISTRY CHEMICAL PHYSICS}},
  keywords     = {{TOTAL-ENERGY CALCULATIONS,WAVE BASIS-SET,INITIO MOLECULAR-DYNAMICS,CARBON-DIOXIDE CAPTURE,METAL-ORGANIC FRAMEWORKS,PORE-SIZE,HYDROGEN STORAGE,DENSITY FUNCTIONALS,CO2 ADSORPTION,SELECTIVE ADSORPTION}},
  language     = {{eng}},
  number       = {{44}},
  pages        = {{15562--15570}},
  title        = {{Synthesis, characterization and sorption properties of NH₂-MIL-47}},
  url          = {{http://doi.org/10.1039/C2CP42137B}},
  volume       = {{14}},
  year         = {{2012}},
}

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