Table 4 Electrophilic (P + k ) and nucleophilic (P − k ) Parr functions, local electrophilicity (ωk) and local nucleophilicity (Nk) of all compounds (3a–3i)
Compounds | P + k | P − k | ω k | N k |
|---|---|---|---|---|
3a | 0.22 (C5) | 0.17 (C9) | 0.91 | 0.67 |
3b | 0.21 (C5) | 0.18 (C14) | 0.81 | 0.67 |
3c | 0.21 (C5) | 0.21 (C9) | 0.86 | 0.84 |
3d | 0.21 (C5) | 0.19 (C9) | 0.88 | 0.72 |
3e | 0.21 (C5) | 0.12 (C9) | 0.82 | 0.44 |
3f | 0.21 (C5) | 0.17 (C9) | 0.88 | 0.63 |
3g | 0.20 (C5) | 0.15 (C9) | 0.91 | 0.56 |
3h | 0.21 (C5) | 0.15 (C9) | 0.74 | 0.55 |
3i | 0.64 (C15) | 0.98 (C15) | 35.56 | 0.34 |