论文标题
固态2H NMR探测的ZIF-8中丁烷和1-丁烯的动力学
Dynamics of Butane and 1-Butene in ZIF-8 Probed by Solid-State 2H NMR
论文作者
论文摘要
我们提出了通过微孔ZIF-8传播的1-丁烯和n-丁烷分子迁移率的详细$^{2} $ h NMR表征，这是一种沸点咪达兹酸酯框架，以其出色的稳定性和分离性的选择性而闻名。首次提供了ZIF-8中N-丁烷和1-丁烯扩散率的实验表征。借助$^{2} $ H NMR自旋松弛分析，我们阐明了将每种运动类型的1-丁烯和N-丁烷来宾的动作机制和n-丁烷客人困在ZIF-8框架中，并导出了动力学参数。微观翻译扩散和激活屏障的特征时间（e $ _ {c4h10} $ = 34 kj mol $^{ - 1} $，e $ _ {c4h8} $ = 32 kJ mol $ $ $^{ - 1} $）用于n二苯乙烯和1-二甲烷和1-二二苯乙烯的分散性。最后，我们表明$^{2} $ h NMR技术能够为ZIF-8 MOF中的显微镜扩散率提供可靠的信息，即使对于具有缓慢扩散速率的分子（<10 $^{ - 14} M^{2} s^{-1} $）。
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$^{-14} m^{2} s^{-1}$).
