Stability of functionalized C60 paramagnetic dimers and monomers

► DFT is used to calculate the bond dissociation energy of functionalized C60 dimers. ► The results show the dimers would not be stable above room temperature. ► The calculations indicate the observed magnetism cannot be due to C60 dimers. ► Because of their higher stability the ferromagnetism is likely due to X-C60 monomers.