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New V-IV-based metal-organic framework having framework flexibility and high CO₂ adsorption capacity

(2013) INORGANIC CHEMISTRY. 52(1). p.113-120
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Abstract
A vanadium based metal organic framework (MOF), VO(BPDC) (BPDC2- = biphenyl-4,4'-dicarboxylate), adopting an expanded MIL-47 structure type, has been synthesized via solvothermal and microwave methods. Its structural and gas/vapor sorption properties have been studied. This compound displays a distinct breathing effect toward certain adsorptives at workable temperatures. The sorption isotherms of CO2 and CH4 indicate a different sorption behavior at specific temperatures. In situ synchrotron X-ray powder diffraction measurements and molecular simulations have been utilized to characterize the structural transition. The experimental measurements clearly suggest the existence of both narrow pore and large pore forms. A free energy profile along the pore angle was computationally determined for the empty host framework. Apart from a regular large pore and a regular narrow pore form, an overstretched narrow pore form has also been found. Additionally, a variety of spectroscopic techniques combined with N-2 adsorption/desorption isotherms measured at 77 K demonstrate that the existence of the mixed oxidation states V-III/V-IV in the titled MOF structure compared to pure V-IV increases the difficulty in triggering the flexibility of the framework.
Keywords
SEPARATION, BENZENEDICARBOXYLATE, MIL-53, DRUG-DELIVERY, POWDER DIFFRACTION, INITIO MOLECULAR-DYNAMICS, TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, FLEXIBLE FRAMEWORKS, BREATHING TRANSITIONS

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Chicago
Liu, Ying-Ya, Sarah Couck, Matthias Vandichel, Maciej Grzywa, Karen Leus, Shyam Prosad Biswas, Dirk Vollmer, et al. 2013. “New V-IV-based Metal-organic Framework Having Framework Flexibility and High CO₂ Adsorption Capacity.” Inorganic Chemistry 52 (1): 113–120.
APA
Liu, Y.-Y., Couck, S., Vandichel, M., Grzywa, M., Leus, K., Biswas, S. P., Vollmer, D., et al. (2013). New V-IV-based metal-organic framework having framework flexibility and high CO₂ adsorption capacity. INORGANIC CHEMISTRY, 52(1), 113–120.
Vancouver
1.
Liu Y-Y, Couck S, Vandichel M, Grzywa M, Leus K, Biswas SP, et al. New V-IV-based metal-organic framework having framework flexibility and high CO₂ adsorption capacity. INORGANIC CHEMISTRY. 2013;52(1):113–20.
MLA
Liu, Ying-Ya, Sarah Couck, Matthias Vandichel, et al. “New V-IV-based Metal-organic Framework Having Framework Flexibility and High CO₂ Adsorption Capacity.” INORGANIC CHEMISTRY 52.1 (2013): 113–120. Print.
@article{3123332,
  abstract     = {A vanadium based metal organic framework (MOF), VO(BPDC) (BPDC2- = biphenyl-4,4'-dicarboxylate), adopting an expanded MIL-47 structure type, has been synthesized via solvothermal and microwave methods. Its structural and gas/vapor sorption properties have been studied. This compound displays a distinct breathing effect toward certain adsorptives at workable temperatures. The sorption isotherms of CO2 and CH4 indicate a different sorption behavior at specific temperatures. In situ synchrotron X-ray powder diffraction measurements and molecular simulations have been utilized to characterize the structural transition. The experimental measurements clearly suggest the existence of both narrow pore and large pore forms. A free energy profile along the pore angle was computationally determined for the empty host framework. Apart from a regular large pore and a regular narrow pore form, an overstretched narrow pore form has also been found. Additionally, a variety of spectroscopic techniques combined with N-2 adsorption/desorption isotherms measured at 77 K demonstrate that the existence of the mixed oxidation states V-III/V-IV in the titled MOF structure compared to pure V-IV increases the difficulty in triggering the flexibility of the framework.},
  author       = {Liu, Ying-Ya and Couck, Sarah and Vandichel, Matthias and Grzywa, Maciej and Leus, Karen and Biswas, Shyam Prosad and Vollmer, Dirk and Gascon, Jorge and Kapteijn, Freek and Denayer, Joeri FM and Waroquier, Michel and Van Speybroeck, Veronique and Van Der Voort, Pascal},
  issn         = {0020-1669},
  journal      = {INORGANIC CHEMISTRY},
  keywords     = {SEPARATION,BENZENEDICARBOXYLATE,MIL-53,DRUG-DELIVERY,POWDER DIFFRACTION,INITIO MOLECULAR-DYNAMICS,TOTAL-ENERGY CALCULATIONS,WAVE BASIS-SET,FLEXIBLE FRAMEWORKS,BREATHING TRANSITIONS},
  language     = {eng},
  number       = {1},
  pages        = {113--120},
  title        = {New V-IV-based metal-organic framework having framework flexibility and high CO₂ adsorption capacity},
  url          = {http://dx.doi.org/10.1021/ic301338a},
  volume       = {52},
  year         = {2013},
}

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