La2@C80: is the circular motion of two La atoms controllable by exohedral addition?

Density functional calculations are carried out for the La2@C80 derivatives to investigate whether the motion of metals encapsulated inside fullerenes is controlled by exohedral addition. It is shown that the three-dimensional random motion of two La atoms in La2@C80 can be restricted to the circular motion in a plane by attaching electron-donating molecules on the outer surface of the C80 cage. It is expected that the two-dimensional circular motion will help to induce a unique electronic or magnetic field.