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

doi:10.1039/c2cp42137b

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

Department of Chemical Sciences

Ghent University
Vrije Universiteit Brussel

Research output: Contribution to journal › Article

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 language	English (Ireland)
Pages (from-to)	15562-15570
Number of pages	9
Journal	Physical Chemistry Chemical Physics
Volume	14
Issue number	44
DOIs	https://doi.org/10.1039/c2cp42137b https://doi.org/10.1039/c2cp42137b
Publication status	Published - 28 Nov 2012

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Vandichel, M., Leus, K., Couck, S., Vanhaelewyn, G., Liu, Y. Y., Marin, G. B., Driessche, I. V., Depla, D., Waroquier, M., Speybroeck, V. V., Denayer, J. F. M., & Voort, P. V. D. (2012). Synthesis, characterization and sorption properties of NH 2-MIL-47. Physical Chemistry Chemical Physics, 14(44), 15562-15570. https://doi.org/10.1039/c2cp42137b, https://doi.org/10.1039/c2cp42137b

@article{7370961033a349789593e71844d562ac,

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

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.",

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

year = "2012",

month = nov,

day = "28",

doi = "10.1039/c2cp42137b",

language = "English (Ireland)",

volume = "14",

pages = "15562--15570",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

number = "44",

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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 -

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

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