羧酸盐MOF HKUST-1在原子尺度上的分解过程
Decomposition Process of Carboxylate MOF HKUST-1 Unveiled at the Atomic Scale Level
摘要：
HKUST-1是一种金属有机框架（MOF），由于其出色的吸附和催化性能，在应用和基础研究领域都发挥着重要作用，但也因为它是研究MOF许多一般性质的参考材料。它的金属基团包括一对由四个羧酸根桥螯合的Cu 2+离子，形成一种称为桨轮单元的结构，这是材料的核心。然而，以前的研究已经确定，桨轮是倾向于水解。事实上，材料长时间暴露于水分中会促进桨轮中Cu-O键的水解，从而破坏结晶网络。本实验研究的主要目的是确定在晶体中由该过程引起的结构缺陷的细节，并且通过将电子顺磁共振光谱与其他更普遍考虑的技术（如X射线衍射、表面积估计和扫描电子显微镜）耦合，已经成功地进行了研究。由于这种原始的方法，我们已经认识到HKUST-1的分解过程的三个阶段，我们已经揭示了在原子尺度水平上的桨轮的相应平衡结构的细节。
英文摘要：
HKUST-1 is a metal-organic framework (MOF) which plays a significant role both in applicative and basic fields of research, thanks to its outstanding properties of adsorption and catalysis but also because it is a reference material for the study of many general properties of MOFs. Its metallic group comprises a pair of Cu2+ ions chelated by four carboxylate bridges, forming a structure known as paddle-wheel unit, which is the heart of the material. However, previous studies have well established that the paddle-wheel is incline to hydrolysis. In fact, the prolonged exposure of the material to moisture promotes the hydrolysis of Cu-O bonds in the paddle-wheels, so breaking the crystalline network. The main objective of the present experimental investigation is the determination of the details of the structural defects induced by this process in the crystal and it has been successfully pursued by coupling the electron paramagnetic resonance spectroscopy with other more commonly considered techniques, as X-ray diffraction, surface area estimation and scanning electron microscopy. Thanks to this original approach we have recognized three stages of the process of decomposition of HKUST-1 and we have unveiled the details of the corresponding equilibrium structures of the paddle-wheels at the atomic scale level.
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