Academic Bibliography

 Search 200 years of publications by Ghent University researchers.
Advanced search
2 files | 12.11 MB
Add to list
  1. Search results
  2. Microscopic linker distribution in mi...

Microscopic linker distribution in mixed-linker zeolitic imidazolate frameworks via computational raman spectroscopy : implications for gas separation

Alexander Hoffman (UGent) , João Marreiros, Sven Rogge (UGent) , Rob Ameloot and Veronique Van Speybroeck (UGent)
(2023) ACS APPLIED NANO MATERIALS. 6(7). p.5645-5652
Author
Organization
Project
Abstract
Mixed-linker zeolitic imidazolate frameworks (ZIFs) are important candidate materials for gas separation. By changing the linker content, their pore size can be tuned, offering the potential to regulate diffusion and adsorption. An important factor affecting these properties in mixed-linker ZIFs is the linker distribution, which is difficult to characterize. In this study, the microscopic linker distribution in mixed-linker ZIF-8/ZIF-90, with respectively methyl and carboxaldehyde functionalization, is elucidated via computa-tional Raman spectroscopy. It is shown that the typical Raman band associated with the carboxaldehyde linker is shifted due to a change in hydrogen-bonding behavior. This insight allows one to explain the microscopic linker distribution in experimental mixed-linker structures.
Keywords
General Materials Science, zeolitic imidazolate framework, mixed linker, microscopic linker, distribution, Raman spectroscopy, ab initio molecular dynamics, radial, distribution function, hydrogen bonds, METAL-ORGANIC FRAMEWORKS, ADSORPTION, DIFFUSION, STRATEGY, POROSITY

Downloads

  • Download
    (...).pdf
    • full text (Published version)
    • |
    • UGent only
    • |
    • PDF
    • |
    • 6.48 MB
  • Download
    Alexander Hoffman et al Accepted Manuscript.pdf
    • full text (Accepted manuscript)
    • |
    • open access
    • |
    • PDF
    • |
    • 5.63 MB

Citation

Please use this url to cite or link to this publication:

MLA
Hoffman, Alexander, et al. “Microscopic Linker Distribution in Mixed-Linker Zeolitic Imidazolate Frameworks via Computational Raman Spectroscopy : Implications for Gas Separation.” ACS APPLIED NANO MATERIALS, vol. 6, no. 7, 2023, pp. 5645–52, doi:10.1021/acsanm.3c00106.
APA
Hoffman, A., Marreiros, J., Rogge, S., Ameloot, R., & Van Speybroeck, V. (2023). Microscopic linker distribution in mixed-linker zeolitic imidazolate frameworks via computational raman spectroscopy : implications for gas separation. ACS APPLIED NANO MATERIALS, 6(7), 5645–5652. https://doi.org/10.1021/acsanm.3c00106
Chicago author-date
Hoffman, Alexander, João Marreiros, Sven Rogge, Rob Ameloot, and Veronique Van Speybroeck. 2023. “Microscopic Linker Distribution in Mixed-Linker Zeolitic Imidazolate Frameworks via Computational Raman Spectroscopy : Implications for Gas Separation.” ACS APPLIED NANO MATERIALS 6 (7): 5645–52. https://doi.org/10.1021/acsanm.3c00106.
Chicago author-date (all authors)
Hoffman, Alexander, João Marreiros, Sven Rogge, Rob Ameloot, and Veronique Van Speybroeck. 2023. “Microscopic Linker Distribution in Mixed-Linker Zeolitic Imidazolate Frameworks via Computational Raman Spectroscopy : Implications for Gas Separation.” ACS APPLIED NANO MATERIALS 6 (7): 5645–5652. doi:10.1021/acsanm.3c00106.
Vancouver
1.
Hoffman A, Marreiros J, Rogge S, Ameloot R, Van Speybroeck V. Microscopic linker distribution in mixed-linker zeolitic imidazolate frameworks via computational raman spectroscopy : implications for gas separation. ACS APPLIED NANO MATERIALS. 2023;6(7):5645–52.
IEEE
[1]
A. Hoffman, J. Marreiros, S. Rogge, R. Ameloot, and V. Van Speybroeck, “Microscopic linker distribution in mixed-linker zeolitic imidazolate frameworks via computational raman spectroscopy : implications for gas separation,” ACS APPLIED NANO MATERIALS, vol. 6, no. 7, pp. 5645–5652, 2023.
@article{01GYETQASP86E2KX4554VKCKXF,
  abstract     = {{Mixed-linker zeolitic imidazolate frameworks (ZIFs) are important candidate materials for gas separation. By changing the linker content, their pore size can be tuned, offering the potential to regulate diffusion and adsorption. An important factor affecting these properties in mixed-linker ZIFs is the linker distribution, which is difficult to characterize. In this study, the microscopic linker distribution in mixed-linker ZIF-8/ZIF-90, with respectively methyl and carboxaldehyde functionalization, is elucidated via computa-tional Raman spectroscopy. It is shown that the typical Raman band associated with the carboxaldehyde linker is shifted due to a change in hydrogen-bonding behavior. This insight allows one to explain the microscopic linker distribution in experimental mixed-linker structures.}},
  author       = {{Hoffman, Alexander and Marreiros, João and Rogge, Sven and Ameloot, Rob and Van Speybroeck, Veronique}},
  issn         = {{2574-0970}},
  journal      = {{ACS APPLIED NANO MATERIALS}},
  keywords     = {{General Materials Science,zeolitic imidazolate framework,mixed linker,microscopic linker,distribution,Raman spectroscopy,ab initio molecular dynamics,radial,distribution function,hydrogen bonds,METAL-ORGANIC FRAMEWORKS,ADSORPTION,DIFFUSION,STRATEGY,POROSITY}},
  language     = {{eng}},
  number       = {{7}},
  pages        = {{5645--5652}},
  title        = {{Microscopic linker distribution in mixed-linker zeolitic imidazolate frameworks via computational raman spectroscopy : implications for gas separation}},
  url          = {{http://doi.org/10.1021/acsanm.3c00106}},
  volume       = {{6}},
  year         = {{2023}},
}
Altmetric
View in Altmetric
Web of Science
Times cited: