Electronic structure of Sc3N@C68

- The UPS and XPS of non-IPR endohedral fullerene Sc3N@C68 are presented.
- The UPS is well reproduced by the simulated spectrum obtained by the DFT calculation.
- The XPS chemical shift and the calculation suggest the electronic configuration of (Sc3N)6+@C686-.
- Core levels of entrapped species, Sc2p3/2 and N1s, show fullerene cage size dependence.