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首页> 外文期刊>Crystal growth & design >Structural Transformations in Metal-Organic Frameworks for the Exploration of Their CO2 Sorption Behavior at Ambient and High Pressure
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Structural Transformations in Metal-Organic Frameworks for the Exploration of Their CO2 Sorption Behavior at Ambient and High Pressure

机译：金属有机框架的结构变换，用于在环境温度下探索其CO2吸附行为

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Metal-organic frameworks with suitable voids are promising materials for their exceptional functionalities. With the incorporation of proper voids and modulation of structural flexibility, such frameworks have been found to be very impressive for several applications. To account for this phenomenon and to explore the structural diversity and sorption behavior of them, four metal-organic frameworks, namely, {[Cu3(3,3'-dmglut)(3)(bte)]center dot 6(H2O)(n) (1), {[Cu(3,3'-dmglut)(btp)(0.5)]center dot 2(H2O)}(n) (2), [Zn(3,3'- dmglut)(0.5)(bpe)(0.5)](n) (3), and {[Mn-2(3,3'- dmglut) 2(bpe)(2)(H2O)(2)]center dot 5(H2O) (n) (4) have been synthesized. Here, three complexes exhibit 3D structure, and one is 2D. All the complexes except 3 show structural transformation upon activation. For complexes 1 and 2, ligand flexibility plays a vital role in their sorption behavior. In complex 3, despite the low void space, the highest CO2 sorption is shown at high pressure among all the complexes due to the pore opening-closing phenomenon. In the case of complex 4, dynamicity and additional adsorbate-adsorbent interaction force it to exhibit an interesting carbon dioxide sorption at 1 bar pressure though it possesses 2D structure. High-pressure carbon dioxide sorption of these complexes has also been studied and correlated with the structural transformations observed in the individual complexes.
机译：具有合适空隙率的金属有机骨架因其特殊的功能性而成为很有前途的材料。随着适当空隙的加入和结构灵活性的调节，这种框架已被发现在一些应用中非常令人印象深刻。为了解释这一现象并探索其结构多样性和吸附行为，我们研究了四种金属有机骨架，即，{[Cu3（3,3'-dmglut）（3）（bte）]中心点6（H2O）（n）（1），{[Cu（3,3'-dmglut）（btp）（0.5）]中心点2（H2O）}（n）（2），[Zn（3,3'-dmglut）（0.5）（bpe）（0.5）]（n）（3），和{[Mn-2（3,3'-dmglut）2（bpe）（2）（H2O）（2）]中心点5（H2O）（n）（4）已经合成。在这里，三个复合体呈现3D结构，一个是2D结构。除3外，所有配合物在活化后都发生了结构转变。对于配合物1和2，配体的柔韧性在其吸附行为中起着至关重要的作用。在络合物3中，尽管孔隙空间较小，但由于孔隙开闭现象，在所有络合物中，在高压下CO2吸附量最高。在络合物4的情况下，动态性和额外的吸附质-吸附剂相互作用迫使它在1巴压力下表现出有趣的二氧化碳吸附，尽管它具有2D结构。还研究了这些配合物的高压二氧化碳吸附，并将其与在单个配合物中观察到的结构转变相关联。

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