Bond energy (kJ mol−1) of imides and proton bonded at a, b and c and of the N–C bonded at position 1 (E1, Ea1, Eb1, Ec1) calculated by Spartan 16 softwarea.
| position | 1a | 1b | 2e | 5d | 9 |
|---|---|---|---|---|---|
| E 1 | 764.92 | 774.95 | 678.95 | 731.28 | 770.14 |
| E a1 | 148.35 | 168.29 | 86.81 | 108.23 | 99.55 |
| E b1 | 115.22 | 97.53 | 11.76 | 38.21 | 84.98 |
| E c1 | 139.98 | 124.70 | 39.36 | 67.22 | 112.60 |
a, b and c: bonding sites for hydrogens (Fig. 4).