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Issue 38, 2018
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Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal–organic frameworks

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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 < pp0. 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.

Graphical abstract: Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal–organic frameworks

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Publication details

The article was received on 25 Jun 2018, accepted on 07 Sep 2018 and first published on 10 Sep 2018


Article type: Paper
DOI: 10.1039/C8CP04025G
Citation: Phys. Chem. Chem. Phys., 2018,20, 25039-25043
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    Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal–organic frameworks

    K. Trepte, S. Schwalbe, J. Schaber, S. Krause, I. Senkovska, S. Kaskel, E. Brunner, J. Kortus and G. Seifert, Phys. Chem. Chem. Phys., 2018, 20, 25039
    DOI: 10.1039/C8CP04025G

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