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  5. Gas uptake and thermodynamics in porous liquids elucidated by 129Xe NMR
 
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Gas uptake and thermodynamics in porous liquids elucidated by 129Xe NMR
File(s)
mailhiot-et-al-2024-gas-uptake-and-thermodynamics-in-porous-liquids-elucidated-by-129xe-nmr.pdf (2.29 MB)
Published version
Author(s)
Mailhiot, Sarah E
Peuravaara, Petri
Egleston, Benjamin D
Kearsey, Rachel J
Mares, Jiri
more
Type
Journal Article
Abstract
We exploited 129Xe NMR to investigate xenon gas uptake and dynamics in a porous liquid formed by dissolving porous organic cages in a cavity-excluded solvent. Quantitative 129Xe NMR shows that when the amount of xenon added to the sample is lower than the amount of cages present (subsaturation), the porous liquid absorbs almost all xenon atoms from the gas phase, with 30% of the cages occupied with a Xe atom. A simple two-site exchange model enables an estimate of the chemical shift of 129Xe in the cages, which is in good agreement with the value provided by first-principles modeling. T2 relaxation times allow the determination of the exchange rate of Xe between the solvent and cage sites as well as the activation energies of the exchange. The 129Xe NMR analysis also enables determination of the free energy of confinement, and it shows that Xe binding is predominantly enthalpy-driven.
Date Issued
2024-05-23
Date Acceptance
2024-04-11
Citation
Journal of Physical Chemistry Letters, 2024, 15 (20), pp.5323-5330
URI
https://hdl.handle.net/10044/1/119182
URL
https://doi.org/10.1021/acs.jpclett.4c00223
DOI
https://www.dx.doi.org/10.1021/acs.jpclett.4c00223
ISSN
1948-7185
Publisher
American Chemical Society
Start Page
5323
End Page
5330
Journal / Book Title
Journal of Physical Chemistry Letters
Volume
15
Issue
20
Copyright Statement
Copyright © 2024 The Authors. Published by American Chemical Society. This publication is licensed under CC-BY 4.0 .
License URL
http://creativecommons.org/licenses/by/4.0/
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/38724016
Subjects
APPROXIMATION
CAGES
CHEMICAL-SHIFT
Chemistry
Chemistry, Physical
DYNAMICS
EXCHANGE
Materials Science
Materials Science, Multidisciplinary
METAL-ORGANIC FRAMEWORKS
Nanoscience & Nanotechnology
NUCLEAR-MAGNETIC-RESONANCE
Physical Sciences
Physics
Physics, Atomic, Molecular & Chemical
Science & Technology
Science & Technology - Other Topics
SIMULATIONS
SPECTROSCOPY
Technology
XENON
Publication Status
Published
Coverage Spatial
United States
Date Publish Online
2024-05-09
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