Abstract：
Investigating the self-sorting behaviour of assemblies with subtle structural differences is a captivating yet challenging endeavour. Herein, we elucidate the unusual self-sorting behaviour of metallacages with subtle structural differences in batch reactors and microdroplets. Narcissistic self-sorting of metallacages has been observed for two ligands with identical sizes, shapes, and symmetries, with only minor differences in the substituted groups. In particular, the self-sorting process in microdroplets occurs within 1 min at room temperature, in stark contrast to batch reactors, which require equilibration for 30 min. To reveal the mechanism of self-sorting and the role of microdroplets, we conducted a series of experiments and theoretical calculations, including competitive self-assembly, cage-to-cage transformation, control experiments involving model metallacages with larger cavities, noncovalent interaction analysis, and root mean square deviation (RMSD) analysis. This research demonstrates an unusual case of self-sorting of very similar assemblies and provides a new strategy for facilitating the self-sorting efficiency of supramolecular systems.
摘要：
研究具有细微结构差异的组件的自分类行为是一项令人着迷但具有挑战性的工作。在这里，我们阐明了在间歇式反应器和微滴中具有细微结构差异的金属物的异常自分类行为。已经观察到两种大小相同的配体的自恋自我分类。形状,和对称性，在取代基团中只有微小的差异。特别是,微滴中的自分选过程在室温下发生在1分钟内，与间歇式反应堆形成鲜明对比的是，需要平衡30分钟。为了揭示自分选的机制和微滴的作用,我们进行了一系列的实验和理论计算，包括竞争性的自我组装，笼子到笼子的转换，涉及具有较大空腔的模型金属陶瓷的控制实验，非共价相互作用分析，和均方根偏差(RMSD)分析。这项研究证明了非常相似的组件的自分选的不寻常情况，并提供了一种促进超分子系统自分选效率的新策略。
