Reticular control of interpenetration in a complex metal–organic framework†,Materials Chemistry Frontiers

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Reticular control of interpenetration in a complex metal–organic framework†
Materials Chemistry Frontiers ( IF 6.0 ) Pub Date : 2018-09-11 00:00:00 , DOI: 10.1039/c8qm00368h
Trang T. M. Nguyen _{1,

2,

3,

4} , Hung M. Le _{1,

2,

3,

4} , Yoshiyuki Kawazoe _{5,

6,

7,

8} , Ha L. Nguyen _{1,

2,

3,

4,

9}

Affiliation

Metal–organic frameworks (MOFs) are a new generation of crystalline porous materials covering a broad spectrum of research fields due to their high porosity and the feasibility of modification of their structure. Due to their large void spaces, MOF structures tend to be more stable when the crystals are grown to form interpenetrated frameworks. Control of interpenetrated frameworks in MOFs is not only useful for various kinds of practical application but also provides insight towards understanding the reaction process and catenated behavior in MOF chemistry. In this research, we sought to investigate and successfully achieve reticular control of the interpenetration of PCN-280, a complex MOF with a 2-fold interpenetrated framework containing heterogeneity building blocks (two kinds of polytopic organic linking unit based on carboxylate), to form a new isoreticular single-frame MOF, termed MOF-908 and isoreticular MOF-909. The crystal structure and underlying network of MOF-908 and MOF-909 are proven by X-ray diffraction analysis as well as other related characterizations. Indeed, the mechanism of reticular control of the interpenetration of PCN-280 is studied in detail using density functional theory (DFT) calculations.

中文翻译：

复杂金属-有机框架中网状渗透的控制†

金属有机骨架（MOFs）是新一代的结晶多孔材料，由于其高孔隙率和改变其结构的可行性而涵盖了广泛的研究领域。由于其较大的空隙空间，当晶体生长形成互穿的骨架时，MOF结构趋于更稳定。对MOF中互穿框架的控制不仅对于各种实际应用都是有用的，而且还为了解MOF化学中的反应过程和催化的行为提供了见识。在这项研究中，我们试图研究并成功实现网状结构PCN-280的互穿网络控制，PCN-280是一种复杂的MOF，具有2个互穿的互穿框架，其中包含异质性构建基块（两种基于羧酸盐的多位有机连接单元），形成称为MOF-908和等网状MOF-909的新的等网状单帧MOF。MOF-908和MOF-909的晶体结构和底层网络已通过X射线衍射分析以及其他相关表征得到了证明。确实，使用密度泛函理论（DFT）计算详细研究了PCN-280互穿的网状控制机理。

更新日期：2018-09-11

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