Table 2. Calculated O 1s core-level binding energies for the different structures in Figs 6 and 7.
| Structure | Calculated O 1s [correction] (eV) |
|---|---|
| C60H-O-C60H | 532.56 [+0.39] |
| C60-O-C60 | 532.69 [+0.39] |
| C60-O- (annulene) | 533.43 [+0.39] |
| C60 > O (epoxide) | 533.00 [+0.39] |
| C60H(OH) | 532.53 [+0.39] |
| C59N(OH) | 533.01 [+0.26] |
| C59N-O-C59N | 532.49 [+0.26] |
The energies are shifted so that the C 1s energy of the corresponding unmodified structure (C60 or (C59N)2) matches the experimental value of 284.6 eV, with the applied corrections given in brackets.