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

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

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.

Details

Original languageEnglish
Pages (from-to)25039-25043
Number of pages5
JournalPhysical Chemistry Chemical Physics
Volume20
Issue number38
Publication statusPublished - 10 Sept 2018
Peer-reviewedYes

External IDs

PubMed 30246822