The origin of the measured chemical shift of 129Xe in UiO-66 and UiO-67 revealed by DFT investigations-Reference-Cited by-同舟云学术

The origin of the measured chemical shift of 129Xe in UiO-66 and UiO-67 revealed by DFT investigations

Published:2017 Issue:15 Volume:19 Page:10020-10027
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Trepte Kai¹²³^ORCID,Schaber Jana¹⁴³,Schwalbe Sebastian⁵⁶³,Drache Franziska¹⁷³,Senkovska Irena¹⁷³^ORCID,Kaskel Stefan¹⁷³,Kortus Jens⁵⁶³,Brunner Eike¹⁴³,Seifert Gotthard¹²³

Affiliation:

1. Technische Universität Dresden

2. Theoretical Chemistry

3. Germany

4. Bioanalytical Chemistry

5. TU Bergakademie Freiberg

6. Institute for Theoretical Physics

7. Inorganic Chemistry

Abstract

The NMR chemical shift of the xenon isotope ¹²⁹Xe inside the metal–organic frameworks (MOFs) UiO-66 and UiO-67 (UiO – University of Oslo) has been investigated both with density functional theory (DFT) and in situ high-pressure ¹²⁹Xe NMR measurements.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP00852J

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