Subcomponent self-assembly approach in molecular cages and its implication on solution behavior

Molecular cages are generally divided into covalent organic cages (COCs) and metal–organic cages (MOCs), which are formed through the self-assembly of organic or metal–organic building blocks. In this review, an overview of the design principles, synthetic strategies, and applications of COCs and MOCs are presented. The subcomponent self-assembly approach relies on the synergetic formation of coordination and covalent bonds between organic subcomponents and metal ions to construct complex architectures. Mass spectrometry technology is promising for analyzing the solution behavior and monitoring the formation process of such sophisticated supramolecular aggregations.