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. 2018 Jan 5;9(8):2195–2211. doi: 10.1039/c7sc04675h

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.

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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