Metal–organic cages (MOCs) are discrete, supramolecular entities that consist of metal nodes and organic linkers, which can offer solution processability and high porosity. Thereby, their predesigned structures can undergo post-synthetic modifications (PSMs) to introduce new functional groups and properties by modifying the linker, metal node, pore or surface environment. This Review explores current PSM strategies used for MOCs, including covalent, coordination and noncovalent methods. The effects of newly introduced functional groups or generated complexes upon the PSMs of MOCs are also detailed, such as improving structural stability or endowing desired functionalities. The development of the aforementioned design principles has enabled systematic approaches for the development and characterization of families of MOCs and, thereby, provides insight into structure–function relationships that will guide future developments.

金属有机笼 (MOC) 是离散的超分子实体，由金属节点和有机连接体组成，可提供溶液加工性和高孔隙率。因此，它们的预设计结构可以进行合成后修饰 (PSM)，通过改变连接基、金属节点、孔隙或表面环境来引入新的官能团和特性。本综述探讨了当前用于 MOC 的 PSM 策略，包括共价、协调和非共价方法。还详细介绍了新引入的官能团或生成的复合物对 MOC 的 PSM 的影响，例如提高结构稳定性或赋予所需的功能。上述设计原则的发展使系统方法能够用于 MOC 系列的开发和表征，从而，