The influence of anions associated with a metal complex on host–guest assembly properties within a hexameric resorcinarene cage was investigated by UV-vis, EPR and electronic circular dichroism spectroscopies and by molecular dynamics (MD) simulations. Upon encapsulation, the metal complex has restricted mobility but conserves its reactivity towards ligand exchange at the metal centre. Only under light irradiation, the behavior of the metal complex is altered by its encapsulation. Also, the counter-ion strongly affects the encapsulation kinetics. MD simulations suggest that this effect can be triggered when the exchange of a structuring water molecule by the anion within the cage wall is possible. Finally, a double chirality induction is observed from a chiral counter-ion to the capsule and to the encapsulated cationic complex moiety itself.

中文翻译：

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六聚体间苯二氮化合物中金属络合物的阴离子介导性质[4]芳烃笼：手性诱导、动力学和反应性


通过 UV-vis、EPR 和电子圆二色光谱以及分子动力学 （MD） 模拟研究了与金属络合物相关的阴离子对六聚体间苯二烯笼内主客体组装性能的影响。封装后，金属络合物的迁移率受到限制，但保留了其对金属中心配体交换的反应性。只有在光照射下，金属络合物的行为才会因其封装而改变。此外，反离子会强烈影响包埋动力学。MD 模拟表明，当笼壁内的阴离子可以交换结构化水分子时，可以触发这种效应。最后，观察到从手性反离子到胶囊和封装的阳离子复合物部分本身的双手性诱导。