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Identification of vanadium dopant sites in the metal-organic framework DUT-5(Al)

Kwinten Maes (UGent) , Lisa Martin (UGent) , Samira Khelifi (UGent) , Alexander Hoffman (UGent) , Karen Leus (UGent) , Pascal Van Der Voort (UGent) , Etienne Goovaerts, Philippe Smet (UGent) , Veronique Van Speybroeck (UGent) , Freddy Callens (UGent) , et al.
(2021) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 23(12). p.7088-7100
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Abstract
Studying the structural environment of the V-IV ions doped in the metal-organic framework (MOF) DUT-5(Al) (((AlOH)-O-III)BPDC) with electron paramagnetic resonance (EPR) reveals four different vanadium-related spectral components. The spin-Hamiltonian parameters are derived by analysis of X-, Q- and W-band powder EPR spectra. Complementary Q-band Electron Nuclear DOuble Resonance (ENDOR) experiments, Scanning Electron Microscopy (SEM), Energy Dispersive X-ray spectroscopy (EDX), X-Ray Diffraction (XRD) and Fourier Transform InfraRed (FTIR) measurements are performed to investigate the origin of these spectral components. Two spectral components with well resolved V-51 hyperfine structure are visible, one corresponding to V-IV-O substitution in a large (or open) pore and one to a narrow (or closed) pore variant of this MOF. Furthermore, a broad structureless Lorentzian line assigned to interacting vanadyl centers in each other's close neighborhood grows with increasing V-concentration. The last spectral component is best visible at low V-concentrations. We tentatively attribute it to (V-IV=O)(2+) linked with DMF or dimethylamine in the pores of the MOF. Simulations using these four spectral components convincingly reproduce the experimental spectra and allow to estimate the contribution of each vanadyl species as a function of V-concentration.

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MLA
Maes, Kwinten, et al. “Identification of Vanadium Dopant Sites in the Metal-Organic Framework DUT-5(Al).” PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 23, no. 12, 2021, pp. 7088–100, doi:10.1039/D1CP00695A.
APA
Maes, K., Martin, L., Khelifi, S., Hoffman, A., Leus, K., Van Der Voort, P., … Vrielinck, H. (2021). Identification of vanadium dopant sites in the metal-organic framework DUT-5(Al). PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 23(12), 7088–7100. https://doi.org/10.1039/D1CP00695A
Chicago author-date
Maes, Kwinten, Lisa Martin, Samira Khelifi, Alexander Hoffman, Karen Leus, Pascal Van Der Voort, Etienne Goovaerts, et al. 2021. “Identification of Vanadium Dopant Sites in the Metal-Organic Framework DUT-5(Al).” PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 (12): 7088–7100. https://doi.org/10.1039/D1CP00695A.
Chicago author-date (all authors)
Maes, Kwinten, Lisa Martin, Samira Khelifi, Alexander Hoffman, Karen Leus, Pascal Van Der Voort, Etienne Goovaerts, Philippe Smet, Veronique Van Speybroeck, Freddy Callens, and Henk Vrielinck. 2021. “Identification of Vanadium Dopant Sites in the Metal-Organic Framework DUT-5(Al).” PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 (12): 7088–7100. doi:10.1039/D1CP00695A.
Vancouver
1.
Maes K, Martin L, Khelifi S, Hoffman A, Leus K, Van Der Voort P, et al. Identification of vanadium dopant sites in the metal-organic framework DUT-5(Al). PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2021;23(12):7088–100.
IEEE
[1]
K. Maes et al., “Identification of vanadium dopant sites in the metal-organic framework DUT-5(Al),” PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 23, no. 12, pp. 7088–7100, 2021.
@article{8699685,
  abstract     = {{Studying the structural environment of the V-IV ions doped in the metal-organic framework (MOF) DUT-5(Al) (((AlOH)-O-III)BPDC) with electron paramagnetic resonance (EPR) reveals four different vanadium-related spectral components. The spin-Hamiltonian parameters are derived by analysis of X-, Q- and W-band powder EPR spectra. Complementary Q-band Electron Nuclear DOuble Resonance (ENDOR) experiments, Scanning Electron Microscopy (SEM), Energy Dispersive X-ray spectroscopy (EDX), X-Ray Diffraction (XRD) and Fourier Transform InfraRed (FTIR) measurements are performed to investigate the origin of these spectral components. Two spectral components with well resolved V-51 hyperfine structure are visible, one corresponding to V-IV-O substitution in a large (or open) pore and one to a narrow (or closed) pore variant of this MOF. Furthermore, a broad structureless Lorentzian line assigned to interacting vanadyl centers in each other's close neighborhood grows with increasing V-concentration. The last spectral component is best visible at low V-concentrations. We tentatively attribute it to (V-IV=O)(2+) linked with DMF or dimethylamine in the pores of the MOF. Simulations using these four spectral components convincingly reproduce the experimental spectra and allow to estimate the contribution of each vanadyl species as a function of V-concentration.}},
  author       = {{Maes, Kwinten and Martin, Lisa and Khelifi, Samira and Hoffman, Alexander and Leus, Karen and Van Der Voort, Pascal and Goovaerts, Etienne and Smet, Philippe and Van Speybroeck, Veronique and Callens, Freddy and Vrielinck, Henk}},
  issn         = {{1463-9076}},
  journal      = {{PHYSICAL CHEMISTRY CHEMICAL PHYSICS}},
  language     = {{eng}},
  number       = {{12}},
  pages        = {{7088--7100}},
  title        = {{Identification of vanadium dopant sites in the metal-organic framework DUT-5(Al)}},
  url          = {{http://dx.doi.org/10.1039/D1CP00695A}},
  volume       = {{23}},
  year         = {{2021}},
}

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