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Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids
ACS Central Science ( IF 18.2 ) Pub Date : 2018-06-20 00:00:00 , DOI: 10.1021/acscentsci.8b00157
Seyed Mohamad Moosavi 1 , Peter G. Boyd 1 , Lev Sarkisov 2 , Berend Smit 1, 3
Affiliation  

Metal–organic frameworks (MOFs) have emerged as versatile materials for applications ranging from gas separation and storage, catalysis, and sensing. The attractive feature of MOFs is that, by changing the ligand and/or metal, they can be chemically tuned to perform optimally for a given application. In most, if not all, of these applications one also needs a material that has a sufficient mechanical stability, but our understanding of how changes in the chemical structure influence mechanical stability is limited. In this work, we rationalize how the mechanical properties of MOFs are related to framework bonding topology and ligand structure. We illustrate that the functional groups on the organic ligands can either enhance the mechanical stability through formation of a secondary network of nonbonded interactions or soften the material by destabilizing the bonded network of a MOF. In addition, we show that synergistic effect of the bonding network of the material and the secondary network is required to achieve optimal mechanical stability of a MOF. The developed molecular insights in this work can be used for systematic improvement of the mechanical stability of the materials by careful selection of the functional groups.

中文翻译:

使用化学柱状体提高金属-金属骨架的机械稳定性

金属有机框架(MOF)已成为一种通用材料,适用于从气体分离和存储,催化到传感的各种应用。MOF的吸引人的特点是,通过改变配体和/或金属,可以对它们进行化学调节,使其对于给定的应用具有最佳的性能。在大多数(如果不是全部)应用中,还需要一种具有足够机械稳定性的材料,但是我们对化学结构变化如何影响机械稳定性的理解是有限的。在这项工作中,我们合理化了MOF的机械性能与骨架键合拓扑和配体结构之间的关系。我们说明有机配体上的官能团可以通过形成非键相互作用的二级网络来增强机械稳定性,也可以通过使MOF的键网络不稳定来软化材料。另外,我们表明,材料的键合网络和次级网络的协同作用是实现MOF最佳机械稳定性所必需的。通过仔细选择官能团,可以将这项工作中发展起来的分子洞察力用于系统地改善材料的机械稳定性。
更新日期:2018-06-20
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