Exohedral Diels-Alder Reactivity of Endohedral Metallofullerene C.

Understanding the exohedral reactivity of metallofullerenes is crucial for its application in various fields. By systematically controlling the trapped species inside the fullerene its reactivity can be tamed. In this work we report the preferential position of 3d metal atoms inside the C cage and their effect on exohedral reactivity in comparison with the neutral and the dianionic cage.