Table 9. Calculated energy barriers (in kJ mol–1) of TS3 based on 2-methyl-4-R-phenyl Grignard reagents and methyl fluoride and the charge (|e|) of γ-carbon.
| ||||||
R | H | F | Cl | Me | OMe | NMe2 |
ΔG‡ | 97.0 | 98.3 | 97.6 | 94.9 | 92.2 | 91.2 |
γ-C | –0.388 | –0.387 | –0.376 | –0.390 | –0.388 | –0.390 |