Evaluation of the capability of C60-fullerene to act as a magnetic coupling unit Original Research Article

The ability of C60-fullerene to act as a magnetic coupling unit between radical centers has been evaluated using ab initio CAS(4,4) theoretical method. The results indicate that functionalized C60-fullerenes have a very good potential to couple radical centers. Depending on the relative position of the two radical centers, the resulting interaction is ferro or antiferromagnetic. This suggests the use of these units as ferrocoupler or antiferrocoupler units, to obtain new families of radicals, or even polymeric structures.