Hakansson, Par, Javed, Muhammad Asadullah, Komulainen, Sanna, Chen, Linjiang, Holden, Daniel, Hasell, Tom ORCID: 0000-0003-4736-0604, Cooper, Andrew
ORCID: 0000-0003-0201-1021, Lantto, Perttu and Telkki, Ville-Veikko
(2019)
NMR relaxation and modelling study of the dynamics of SF<sub>6</sub> and Xe in porous organic cages.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21 (44).
pp. 24373-24382.
Abstract
The porous solid formed from organic CC3 cage molecules has exceptional performance for rare gas separation. NMR spectroscopy provides a way to reveal the dynamical details by using experimental relaxation and diffusion measurements. Here, we investigated T<sub>1</sub> and T<sub>2</sub> relaxation as well as diffusion of <sup>129</sup>Xe and SF<sub>6</sub> gases in the CC3-R molecular crystal at various temperatures and magnetic field strengths. Advanced relaxation modelling made it possible to extract various important dynamical parameters for gases in CC3-R, such as exchange rates, activation energies and mobility rates of xenon, occupancies of the cavities, rotational correlational times, effective relaxation rates, and diffusion coefficients of SF<sub>6</sub>.
Item Type: | Article |
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Depositing User: | Symplectic Admin |
Date Deposited: | 09 Dec 2019 16:28 |
Last Modified: | 05 Oct 2023 15:00 |
DOI: | 10.1039/c9cp04379a |
Open Access URL: | https://doi.org/10.1039/C9CP04379A |
Related URLs: | |
URI: | https://livrepository.liverpool.ac.uk/id/eprint/3065621 |