Rates and energetics of intramolecular electron transfer processes in conjugated metallofullerenes

In this paper, we report on the design, redox potentials, excited state energies and radical ion pair state energies in electron donor–acceptor conjugates comprising the electron-donating π -extended tetrathia- fulvalene and several electron-accepting fullerenes. To this end, we contrast an empty fullerene, that is, C 60 , with two endohedral metallofullerenes, that is, open-shell La@C 82 and closed-shell La 2 @C 80 , in terms of charge separation and charge recombination dynamics.