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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 and Veronique Van Speybroeck UGent, et al. (2012) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 14(44). p.15562-15570
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.
Please use this url to cite or link to this publication:
author
organization
alternative title
Synthesis, characterization and sorption properties of NH2-MIL-47
year
type
journalArticle (original)
publication status
published
subject
keyword
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
journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Phys. Chem. Chem. Phys.
volume
14
issue
44
pages
15562 - 15570
Web of Science type
Article
Web of Science id
000310153300037
JCR category
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
JCR impact factor
3.829 (2012)
JCR rank
6/34 (2012)
JCR quartile
1 (2012)
ISSN
1463-9076
DOI
10.1039/C2CP42137B
project
EFECTS (Efficient Environmental-Friendly Electro-Ceramics Coating Technology and Synthesis)
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
3047623
handle
http://hdl.handle.net/1854/LU-3047623
date created
2012-11-05 22:18:10
date last changed
2012-12-11 15:26:34
@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},
  keyword      = {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 NH\unmatched{2082}-MIL-47},
  url          = {http://dx.doi.org/10.1039/C2CP42137B},
  volume       = {14},
  year         = {2012},
}

Chicago
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): 15562–15570.
APA
Leus, K., Couck, S., Vandichel, M., Vanhaelewyn, G., Liu, Y.-Y., Marin, G., Van Driessche, I., et al. (2012). Synthesis, characterization and sorption properties of NH₂-MIL-47. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14(44), 15562–15570.
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.
MLA
Leus, Karen, Sarah Couck, Matthias Vandichel, et al. “Synthesis, Characterization and Sorption Properties of NH₂-MIL-47.” PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14.44 (2012): 15562–15570. Print.