NMR relaxation and modelling study of the dynamics of SF<sub>6</sub> and Xe in porous organic cages
Håkansson, Pär; Javed, Muhammad Asadullah; Komulainen, Sanna; Chen, Linjiang; Holden, Daniel; Hasell, Tom; Cooper, Andrew; Lantto, Perttu; Telkki, Ville-Veikko (2019-10-22)
Phys. Chem. Chem. Phys., 2019, 21, 24373-24382
© 2019 The Authors. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
https://creativecommons.org/licenses/by/3.0/
https://urn.fi/URN:NBN:fi-fe2019112243721
Tiivistelmä
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 T₁ and T₂ relaxation as well as diffusion of ¹²⁹Xe and SF₆ 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 SF₆.
Kokoelmat
- Avoin saatavuus [31907]