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arXiv · 2004.06554

Dynamics of Butane and 1-Butene in ZIF-8 Probed by Solid-State 2H NMR

Alexander E. Khudozhitkov·Sergei S. Arzumanov·Daniil I. Kolokolov·Alexander G. Stepanov
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Abstract

We present a detailed $^{2}$H NMR characterization of molecular mobility of 1-butene and n-butane propagating through the microporous ZIF-8, a zeolitic imidazolate framework renowned for its outstandingly high stability and separation selectivity of various. The experimental characterization of n-butane and 1-butene diffusivity in ZIF-8 on the molecular scale is provided for the first time. With $^{2}$H NMR spin relaxation analysis we have elucidated the motional mechanism for 1-butene and n-butane guests trapped within ZIF-8 framework and derived kinetic parameters for each type of motion. The characteristic times for microscopic translational diffusion and activation barriers (E$_{C4H10}$ = 34 kJ mol$^{-1}$, E$_{C4H8}$ = 32 kJ mol$^{-1}$) for n-butane and 1-butene diffusivities have been elucidated. Finally, we show that $^{2}$H NMR technique is capable to provide reliable information on microscopic diffusivity in the ZIF-8 MOF even for molecules with slow diffusion rates (<10$^{-14} m^{2} s^{-1}$).

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Alexander E. Khudozhitkov, Sergei S. Arzumanov, Daniil I. Kolokolov, Alexander G. Stepanov. 2020-03-16. Dynamics of Butane and 1-Butene in ZIF-8 Probed by Solid-State 2H NMR. https://arxiv.org/abs/2004.06554

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