[60]Fullerene‐Based Macrocycle Ligands

Macrocycle ligands have three or more donor sites. Selective replacement of skeleton carbon atoms by heteroatoms and vacancies in C60 could lead to various macrocycle ligands with a cage‐shaped backbone. Theoretical calculations indicate that such C60‐based macrocycle ligands are as stable as C60 thermodynamically according to their similar HOMO–LUMO gaps. The synthesis of these ligands is a challenging task. Nevertheless important progresses have been reported. This concept article focuses on the structures of possible C60‐based macrocycle ligands and related synthetic results. Macrocycle ligands have three or more donor sites. Selective replacement of skeleton carbon atoms by heteroatoms and vacancies in C60 could lead to various macrocycle ligands with a cage‐shaped backbone. Theoretical calculations indicate that such C60‐based macrocycle ligands are as stable as C60 thermodynamically according to their similar HOMO–LUMO gaps.