Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal-organic frameworks

Trepte K, Schwalbe S, Schaber J, Krause S, Senkovska I, Kaskel S, Brunner E, Kortus J, Seifert G (2018)

Publication Type: Journal article

Publication year: 2018

Journal

Physical Chemistry Chemical Physics Royal Society of Chemistry

Book Volume: 20

Pages Range: 25039-25043

Journal Issue: 38

DOI: 10.1039/c8cp04025g

Abstract

The pressure dependence of the 129Xe chemical shift in the metal-organic frameworks (MOFs) UiO-66 and UiO-67 (UiO-University of Oslo) has been investigated using both theory and experiment. The resulting chemical shift isotherms were analyzed with a theoretical approach based on model systems (as proposed by K. Trepte, J. Schaber, S. Schwalbe, F. Drache, I. Senkovska, S. Kaskel, J. Kortus, E. Brunner and G. Seifert, Phys. Chem. Chem. Phys., 2017, 19, 10020-10027) and experimental 129Xe NMR measurements at different pressures. All investigations were carried out at T = 237 K while the pressure range was chosen according to the maximum pressure at which Xe liquifies (p0 = 1.73 MPa or 17.3 bar), thus 0 < p ≤ p0. The theoretically predicted chemical shift isotherms agree well with the experimental ones. Additionally, a comparison of the chemical shift isotherms with volumetric adsorption isotherms was carried out to determine the similarities and differences of both isotherms.

Involved external institutions

Technische Universität Dresden DE Germany (DE) Technische Universität Bergakademie Freiberg DE Germany (DE)

How to cite

APA:

Trepte, K., Schwalbe, S., Schaber, J., Krause, S., Senkovska, I., Kaskel, S.,... Seifert, G. (2018). Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal-organic frameworks. Physical Chemistry Chemical Physics, 20(38), 25039-25043. https://doi.org/10.1039/c8cp04025g

MLA:

Trepte, Kai, et al. "Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal-organic frameworks." Physical Chemistry Chemical Physics 20.38 (2018): 25039-25043.

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