Supramolecular Purification and Regioselective Functionalization of Fullerenes and Endohedral Metallofullerenes

Summary Fullerenes and endohedral metallofullerenes (EMFs) are exceptional compounds of outstanding interest in many fields for their physicochemical properties, including material science, solar cell energy conversion, and biomedical applications. However, their broad use is hampered by two main limiting factors: (1) the inefficient and costly purification methods of pristine and functionalized derivatives and (2) the untamed regioselectivity of poly-functionalized derivatives, which renders an intractable mixture of isomers. This review discloses the current purification and functionalization strategies and focuses on the supramolecular approach to tackle these important limitations, specifically on the development of nanocapsules with large voids capable of the molecular recognition of fullerenes and EMFs and their use as masks for their regio- and chemo-selective poly-functionalization. Finally, an updated collection of the main applications of fullerenes and EMFs showcases the huge potential of these compounds, provided the feasible preparation of poly-functionalized derivatives is achieved.