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. 2018 Jun 12;8(38):21407–21413. doi: 10.1039/c7ra00408g

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

a, b and c: bonding sites for hydrogens (Fig. 4).