MOFs材料作为潜在的吸附材料一直为人们所关注，然而其在二氧化硫吸附上的研究相对较少，特别是在其原位吸附结构研究方面。本项目试图利用实验室单晶X射线衍射仪对MOFs材料进行原位二氧化硫吸附的结构表征，确定二氧化硫分子在晶体结构中的位置，分析二氧化硫分子与MOFs骨架之间的相互作用，从而揭示潜在的二氧化硫吸附机理，为筛选潜在二氧化硫吸附剂提供理论基础，也为进一步设计合成新型具有潜在二氧化硫吸附特性的MOFs材料带来新思路。

Metal–organic frameworks (MOFs), as an emerging class of porous sorbents, have been widely reported for hydrogen storage and carbon dioxide capture. However, their applicability to the capture of SO2 is less well explored, especially for the in-situ gas adsorption structural study to obtain the adsorption/desorption mechanism. In this project, the in-situ SO2 adsorption structural study of MOFs will be performance by using the gas cell on the in-house single crystal X-ray diffractometer. The SO2 molecules can be located by single crystal X-ray diffraction data. The elucidation of host–guest interactions between SO2 and MOFs at a molecular level may provide the mechanism of the SO2 adsorption/desorption, which will afford great opportunities for the design and discovery of new generations of adsorbents.