Establishment of a linear correlation between the LUMO levels of fullerenes and the Hammett constants of substituents installed: An experimental and theoretical study

The LUMO levels of series fulleropyrrolidines equipped with electron-withdrawing and electron-donating groups were determined by electrochemical study and DFT calculation. A linear correlation between the LUMO levels of fullerenes and the Hammett constants of substituents installed was established for the first time. This may allow to predicting and finely tuning the LUMO level of fullerene electron-acceptor.