Interaction of fullerenes with metallic lithium in the condensed state

The relative stability of exo-and endohedral lithium complexes with the C₆₀ fullerene was estimated using quantum chemistry and molecular-dynamics methods. Endohedral compounds were shown to have a higher stability. The possible maximum filling of the C₆₀ inner sphere by lithium was estimated theoretically. The interaction of metallic lithium with the C₆₀ fullerene and a C₆₀ + C₇₀ mixture was studied using DTA and EPR and established to proceed in several stages.