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首页> 外文期刊>Crystal growth & design >Probing structural changes in a phosphonate-based metal-organic framework exhibiting reversible dehydration
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Probing structural changes in a phosphonate-based metal-organic framework exhibiting reversible dehydration

机译：在显示可逆脱水的基于膦酸酯的金属-有机骨架中探测结构变化

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摘要

A one-step hydrothermal synthesis with small amines and 1,3,5-benzenetriphosphonic acid was used to prepare single crystals of isostructural anionic metal-organic frameworks (MOF): Zn_(2.5)(H) _(0.4-0.5)(C_6H_3O_9P _3)(H_2O)_(1.9-2)(NH_4)_(0.5-0.6) and Zn_(2.5)(H)_(0.75)(C_6H_3O _9P_3)(H_2O)_2(CH_3NH _3)_(0.25). The ammonium ions are exchangeable with lithium ions. The MOF exhibits reversible dehydration, and the process was studied by two complementary methods: solid state NMR and in situ X-ray diffraction. These experiments revealed three different phases. The crystal structures of all phases have been determined, showing loss in volume of the structure due to a phase change. The ammonium ions remain in the structure and are forced to occupy the larger pores due to a reduction in free volume. The change in positions of the guest molecules in the framework has an effect on the potential conductivity properties of the materials. Changes in framework and guest molecules due to negative expansion have an effect on other physical and chemical properties and need to be explored.
机译：用小胺和1,3,5-苯三膦酸一步一步水热合成制备单结构的等结构阴离子金属有机骨架（MOF）：Zn_（2.5）（H）_（0.4-0.5）（C_6H_3O_9P _3）（H_2O）_（1.9-2）（NH_4）_（0.5-0.6）和Zn_（2.5）（H）_（0.75）（C_6H_3O _9P_3）（H_2O）_2（CH_3NH _3）_（0.25）。铵离子可与锂离子交换。 MOF表现出可逆脱水，并通过两种互补方法研究了该过程：固态NMR和原位X射线衍射。这些实验揭示了三个不同的阶段。已经确定了所有相的晶体结构，显示出由于相变而导致的结构体积损失。由于自由体积的减少，铵离子保留在结构中并被迫占据较大的孔。客体分子在骨架中的位置变化对材料的电导率特性有影响。负膨胀引起的骨架和客体分子的变化对其他物理和化学性质有影响，需要加以研究。

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