Table 8.
Energies for isomeric products obtained from DFT-B3LYP calculations.
Most stable isomer | Least stable isomer | ΔE for isomers (kcal mol−1) |
9b | 9b’ | 1.47 |
9e | 9e’ | 0.74 |
9f | 9f’ | 0.56 |
10e | 10e’ | 0.76 |
10f | 10f’ | 0.58 |
11b | 11b’ | 1.44 |
11e | 11e’ | 0.53 |