Thermodynamic and Kinetic Effects in the Crystallization of Metal–Organic Frameworks,Accounts of Chemical Research

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Thermodynamic and Kinetic Effects in the Crystallization of Metal–Organic Frameworks
Accounts of Chemical Research ( IF 16.4 ) Pub Date : 2018-02-16 00:00:00 , DOI: 10.1021/acs.accounts.7b00497
Anthony K. Cheetham ₁ , G. Kieslich ₂ , H. H.-M. Yeung ₃

Affiliation

The evolution of metal–organic frameworks (MOFs) has been one of the most exciting aspects of materials chemistry over the last 20 years. In this Account, we discuss the development during this period in our understanding of the factors that control the crystallization of MOFs from solution. Both classical porous MOFs and dense MOF phases are considered. This is an opportune time at which to examine this complex area because the experimental tools now available to interrogate crystallization processes have matured significantly in the last 5 years, particularly with the use of in situ synchrotron X-ray diffraction. There have also been impressive developments in the use of density functional theory (DFT) to treat not only the energies of very complex structures but also their entropies. This is particularly important in MOF frameworks because of their much greater flexibility compared with inorganic structures such as zeolites.

中文翻译：

金属有机骨架结晶中的热力学和动力学效应

在过去的20年中，金属有机框架（MOF）的发展一直是材料化学领域最令人激动的方面之一。在此帐户中，我们通过了解控制MOF从溶液中结晶的因素，讨论了这一时期的发展。同时考虑了经典的多孔MOF相和致密的MOF相。这是检查这个复杂区域的合适时机，因为在过去的5年中，可用于询问结晶过程的实验工具已经显着成熟，尤其是在使用原位同步加速器X射线衍射的情况下。在使用密度泛函理论（DFT）来处理非常复杂的结构的能量及其熵的过程中，也取得了令人瞩目的发展。

更新日期：2018-02-16

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