Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 20, Issue 38, Pages 25039-25043Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cp04025g
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Funding
- 'Support the Best' program within the Excellence Initiative of the TU Dresden
- DFG [FOR 2433]
- ZIH in Dresden
- WeNDeLIB - Werkstoffe mit neuem Design fur verbesserte Lithium-Ionen-Batterien [SPP 1473]
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The pressure dependence of the Xe-129 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 Xe-129 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 (p(0) = 1.73 MPa or 17.3 bar), thus 0 < p <= p(0). 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.
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