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NMR relaxation and modelling study of the dynamics of SF6 and Xe in porous organic cages

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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.

Graphical abstract: NMR relaxation and modelling study of the dynamics of SF6 and Xe in porous organic cages

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Publication details

The article was received on 07 Aug 2019, accepted on 21 Oct 2019 and first published on 22 Oct 2019


Article type: Paper
DOI: 10.1039/C9CP04379A
Phys. Chem. Chem. Phys., 2019, Advance Article
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    NMR relaxation and modelling study of the dynamics of SF6 and Xe in porous organic cages

    P. Håkansson, M. A. Javed, S. Komulainen, L. Chen, D. Holden, T. Hasell, A. Cooper, P. Lantto and V. Telkki, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C9CP04379A

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