通过FTIR光谱探测MOF MIL-68（In）在高压下的结构稳定性和增强的CO2储存,Chemistry - A European Journal

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通过FTIR光谱探测MOF MIL-68（In）在高压下的结构稳定性和增强的CO2储存
Chemistry - A European Journal ( IF 3.9 ) Pub Date : 2015-11-05 , DOI: 10.1002/chem.201502980
Yue Hu , Bin Lin , Peng He , Youyong Li , Yining Huang , Yang Song

金属有机框架（MOF）MIL-68的独特结构拓扑，具有两种类型的具有不同孔径的通道，使其成为气体存储和分离应用的有希望的候选者。在这项研究中，通过高压原位红外光谱法研究了在高压条件下在金刚石-砧座中制成和活化的MIL-68（In）的行为。骨架在高达9 GPa的压缩下表现出高稳定性，而桥接的OH基团似乎对压缩非常敏感。发现压力导致的结构更改对于原样的MIL-68（In）是完全可逆的，但对于激活的框架则是不可逆的。此外，Nujol作为压力传递介质的添加使框架对压力的抵抗力更强。最后，当装载CO _2时，该框架在不同压力下在六边形和三角形孔中表现出有趣的与CO _2的差分结合亲和力。借助蒙特卡洛模拟，探索了压力增强的CO ₂储存行为以及CO ₂与MOF框架之间的客主相互作用机制。这些研究表明，在需要极高负载压力的储气应用中，MIL-68（In）具有巨大的潜力。

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Probing the Structural Stability of and Enhanced CO2 Storage in MOF MIL‐68(In) under High Pressures by FTIR Spectroscopy

The unique structural topology of metal–organic framework (MOF) MIL‐68, featuring two types of channels with distinct pore sizes, makes it a promising candidate for application in gas storage and separation. In this study, the behavior of as‐made and activated MIL‐68(In) was investigated in a diamond‐anvil cell under high pressure by in situ IR spectroscopy. The framework exhibits high stability under compression up to 9 GPa, whereas the bridging OH groups appear to be very sensitive to compression. Pressure‐induced structural modifications were found to be completely reversible for as‐made MIL‐68(In) but irreversible for the activated framework. Moreover, the addition of Nujol as pressure‐transmitting medium makes the framework more resilient to pressure. Finally, when loaded with CO₂, the framework exhibited interesting differential binding affinities with CO₂ in the hexagonal and triangular pores at different pressures. The pressure‐enhanced CO₂ storage behavior and the guest–host interaction mechanism between CO₂ and the MOF framework were explored with the aid of Monte Carlo simulations. These studies demonstrated great potential for MIL‐68(In) in gas‐storage applications that require extreme loading pressures.

更新日期：2015-11-05

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