Xu Jun, Terskikh Victor V, Huang Yining
†Department of Chemistry, The University of Western Ontario, London, Ontario, Canada N6A 5B7.
‡Measurement Science and Standards, National Research Council Canada, Ottawa, Ontario, Canada K1A 0R6.
J Phys Chem Lett. 2013 Jan 3;4(1):7-11. doi: 10.1021/jz301954t. Epub 2012 Dec 12.
Metal-organic frameworks (MOFs) have excellent adsorption capability. To understand their adsorptive properties requires detailed information on the host-guest interaction. The information on MOF desolvation (or activation) is also crucial because the very first step of many applications requires removal of the solvent molecules occluded inside of the pores. Unfortunately, such information is not always available from powder XRD data. Solid-state NMR is an excellent complementary technique to XRD. CPO-27-Mg is a MOF with unusual adsorption ability. The adsorption involves a direct interaction between Mg and guest species. Herein, we present, for the first time, a natural abundance (25)Mg solid-state NMR study of CPO-27-Mg at an ultrahigh magnetic field of 21.1 T. The results provide new physical insights into the effects of dehydration/rehydration and adsorption of guest species on the Mg local environment.
金属有机框架材料（MOFs）具有出色的吸附能力。要了解它们的吸附特性，需要有关主客体相互作用的详细信息。MOF去溶剂化（或活化）的信息也至关重要，因为许多应用的第一步都需要去除孔内截留的溶剂分子。不幸的是，粉末XRD数据并不总能提供此类信息。固态NMR是XRD的一种出色的补充技术。CPO-27-Mg是一种具有非凡吸附能力的MOF。这种吸附涉及镁与客体物种之间的直接相互作用。在此，我们首次展示了在21.1 T的超高磁场下对CPO-27-Mg进行的天然丰度（25）Mg固态NMR研究。结果为脱水/再水化以及客体物种吸附对镁局部环境的影响提供了新的物理见解。
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