“…It was concluded that hybridizations were found between the Mn, Fe, Co, and Ni 3d valence orbitals and the C 60 orbital, and the metal atom inside fullerene cage represented the preferential position. In addition, some experimental investigations on the endohedral metallofullerenes have been observed by experimental techniques 23–28. For example, Shinohara 23 prepared the endohedral metallofullerenes, produced from the Group 2 and Group 3 metal atoms such as Sc, Y, La, Ca, Sr, and Ba as well as lanthanide metallofullerenes (Ce−Lu), with the X‐ray diffraction, 13 C NMR and ultra‐high vacuum scanning tunneling microscopy (UHV‐STM) techniques.…”