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通过局部和全局迁移合作实现晶体灵活性设计。

Crystal Flexibility Design through Local and Global Motility Cooperation.

机构信息

Institute for Integrated Cell-Material Sciences (WPI-iCeMS), Kyoto University Institute for Advanced Study, Kyoto University, Yoshida Ushinomiya-cho, Sakyo-ku, Kyoto, 606-8501, Japan.

Department of Advanced Materials Science, Graduate School of Frontier Sciences, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba, 277-8561, Japan.

出版信息

Angew Chem Int Ed Engl. 2021 Mar 22;60(13):7030-7035. doi: 10.1002/anie.202015257. Epub 2021 Feb 18.

DOI:10.1002/anie.202015257
PMID:33377227
Abstract

Incorporating local mobility into a flexible framework promises to create cooperative properties unattainable in a conventional soft porous crystal. In this study, we propose a design strategy that integrates substituent moieties and a flexible porous crystal framework via intra-framework π-π interactions. This integration not only facilitates framework structural transitions but also gives the porous coordination polymers (PCPs) different guest-free structures that depend on the activation conditions. The incorporated flexibility gives the material the ability to discriminate C6 alkane isomers based on different gate-opening behaviors. Thus, the PCP has potential applications in C6 isomer separation, a critical step in the petroleum refining process to produce gasoline with high octane rating. This strategy, based on ligand designability, offers a new approach to flexible PCP structural and functional design.

摘要

将局部迁移纳入灵活的框架中有望创造出传统软多孔晶体无法实现的协同特性。在这项研究中,我们提出了一种设计策略,通过框架内 π-π 相互作用将取代基部分和灵活的多孔晶体框架集成在一起。这种集成不仅促进了框架结构的转变,而且为多孔配位聚合物(PCP)提供了不同的无客体结构,这取决于激活条件。所包含的灵活性使材料能够根据不同的开门行为来区分 C6 烷烃异构体。因此,该 PCP 具有在 C6 异构体分离中的潜在应用,这是石油精炼过程中的关键步骤,以生产高辛烷值的汽油。这种基于配体设计性的策略为灵活的 PCP 结构和功能设计提供了一种新方法。

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