Dynamics of propene and propane in ZIF-8 probed by solid-state 2H NMR

文献情報

出版日 2020-02-21

DOI 10.1039/D0CP00270D

インパクトファクター 3.676

著者

Dieter Freude, Alexander G. Stepanov

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要旨

We present a detailed 2H NMR characterization of molecular mobility of propene and propane propagating though the microporous ZIF-8, a zeolitic imidazolate framework renowned for its outstandingly high separation selectivity for industrially relevant propene/propane mixtures. Experimental characterization of both propene and propane diffusivity in ZIF-8 has been provided. Using 2H NMR spin relaxation analysis, the motional mechanisms for propene and propane guests trapped within the ZIF-8 framework have been elucidated. Kinetic parameters for each type of motion were derived. The characteristic times for microscopic translational diffusion and activation barriers (EC3H8 = 38 kJ mol−1, EC3H6 = 13.5 kJ mol−1) for propane and propene diffusivities have been estimated. A notable difference in the observed activation barriers emphasizes that the ZIF-8 window crossing is associated with the “gate-opening” and represents an extremely shape selective process. Finally, we show that the 2H NMR technique is capable of providing reliable information on microscopic diffusivity in the ZIF-8 MOF even for molecules with slow diffusivity (<10−14 m2 s−1).

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Dynamics of propene and propane in ZIF-8 probed by solid-state 2H NMR

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