Organic donor–acceptor systems have attracted much attention due to their various potential applications. However, the rational construction and modulation of highly ordered donor–acceptor systems could be a challenge due to the complicated self‐assembly process of donor and acceptor species. Considering the well‐defined arrangement of species at the molecule level, a crystalline host–guest system could be an ideal platform for the rational construction of donor–acceptor systems. Herein, it is shown how the rational construction of highly tunable donor–acceptor materials can be achieved based on a crystalline host–guest platform. Within the well‐established metal–organic framework NKU‐111 as the crystalline host enabled by the relatively stable coordination‐directed assembly, the introduction and arrangement of guest molecules in the crystals allow the rational construction of the NKU‐111⊃guest donor–acceptor system. The donor–acceptor interaction in the systems can be readily modulated with different guest molecules, which can be justified by the well‐demonstrated guest‐dependent characteristics. Accordingly, the NKU‐111⊃guest reveals highly tunable donor–acceptor properties such as charge‐transfer‐based emissions and electrical conductivity. This work indicates the potential of crystalline host–guest systems as an ideal platform for systematic investigations of donor–acceptor materials.

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基于晶体宿主-客体平台的高度可调供体-受体材料的合理构建

有机供体-受体系统由于其潜在的用途而备受关注。然而，由于供体和受体物种的自组装过程复杂，合理构建和调节高度有序的供体-受体系统可能是一个挑战。考虑到分子在分子水平上的明确排列，结晶的宿主-客体系统可能是合理构建供体-受体系统的理想平台。本文显示了如何基于晶体宿主-客体平台实现高度可调的供体-受体材料的合理构建。在成熟的金属有机框架NKU-111中，它是通过相对稳定的配位导向组装而形成的晶体主体，晶体中客体分子的引入和排列使NKU-111⊃客体供体-受体系统得以合理构建。系统中的供体-受体相互作用可以很容易地用不同的客体分子调节，这可以通过充分证明的客体依赖性特征来证明。因此，NKU-111客体显示出高度可调的供体-受体特性，例如基于电荷转移的发射和电导率。这项工作表明晶体宿主-客体系统作为系统研究供体-受体材料的理想平台的潜力。这可以通过充分表现出的依赖于客户的特征来证明。因此，NKU-111客体显示出高度可调的供体-受体特性，例如基于电荷转移的发射和电导率。这项工作表明晶体宿主-客体系统作为系统研究供体-受体材料的理想平台的潜力。这可以通过充分表现出的依赖于客户的特征来证明。因此，NKU-111客体显示出高度可调的供体-受体特性，例如基于电荷转移的发射和电导率。这项工作表明晶体宿主-客体系统作为系统研究供体-受体材料的理想平台的潜力。