波谱学杂志 ›› 2023, Vol. 40 ›› Issue (2): 192-206.doi: 10.11938/cjmr20223027

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固体NMR研究MOFs吸附和分离过程中的主客体相互作用

贺彩艳1,2,肖宇情1,2,李申慧1,*(),徐君1,邓风1,#()   

  1. 1.中国科学院精密测量科学与技术创新研究院,波谱与原子分子物理国家重点实验室,武汉磁共振中心,湖北 武汉 430071
    2.中国科学院大学,北京 100049
  • 收稿日期:2022-10-10 出版日期:2023-06-05 在线发表日期:2022-11-03
  • 通讯作者: 李申慧,邓风 E-mail:lishenhui@wipm.ac.cn;dengf@wipm.ac.cn
  • 基金资助:
    中国科学院磁共振技术联盟功能开发项目(2020gz1007)

Solid-state NMR Investigation of the Host-guest Interactions in Gas Adsorption and Chemical Separation Using MOFs as Adsorbents

HE Caiyan1,2,XIAO Yuqing1,2,LI Shenhui1,*(),XU Jun1,DENG Feng1,#()   

  1. 1. Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Wuhan 430071, China
    2. University of Chinese Academy of Sciences, Beijing 100049, China
  • Received:2022-10-10 Published:2023-06-05 Online:2022-11-03
  • Contact: LI Shenhui,DENG Feng E-mail:lishenhui@wipm.ac.cn;dengf@wipm.ac.cn

摘要:

固体核磁共振(NMR)因对结构和化学环境敏感,已广泛应用于研究金属有机框架材料(MOFs)在吸附分离应用上的主客体相互作用机制.多核、多维、变温固体NMR实验可以用来研究低碳碳氢化合物、CO2在MOFs孔道内的吸附行为(包括优先吸附位点、动力学性质、扩散快慢等).固体NMR也可用来直接测定低碳烷烃/烯烃在MOFs中的分离选择性,并观测低碳烷烃/烯烃在MOFs孔道内的竞争优先吸附.此外,固体NMR还可用来揭示常见化学品与MOFs的主客体相互作用模式.这些研究的开展将有助于人们理解MOFs在吸附和分离过程中存在的内在构效关系.

关键词: 固体核磁共振, 金属有机框架材料, 主客体相互作用, 吸附和分离

Abstract:

Due to its sensitivity to the local geometries and chemical environments, solid-state nuclear magnetic resonance (NMR) is widely applied to investigate the host-guest interactions between metal-organic frameworks (MOFs) and guest molecules in the studies of gas adsorption and chemical separation. Multi-nuclear, multi-dimensional and variable temperature solid-state NMR is employed to investigate the adsorption behavior, primary adsorption sites, dynamic property, and self-diffusion coefficients of light hydrocarbons and carbon dioxide inside the MOFs channels. Moreover, solid-state NMR spectroscopy is utilized to determine the adsorption selectivity, visualize the preferential adsorption and uncover the separation mechanism of light alkane/alkene mixtures inside MOFs. Furthermore, solid-state NMR is used to explore the detailed host-guest interaction mechanism between common chemicals and MOFs adsorbents. All these findings provide insights into deep understanding of the structure-property relationship for the application of functional MOFs in gas adsorption and chemical separation.

Key words: solid-state NMR, metal-organic frameworks (MOFs), host-guest interaction, adsorption and separation

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