Fig. 5: Mechanistic experiments and computational studies.
From: Carbodefluorination of fluoroalkyl ketones via a carbene-initiated rearrangement strategy
a Reaction kinetics study; b Control experiments; c A plausible mechanism based on DFT-computed free-energy profile (ΔG, in kcal·mol–1). Standard condition: 1a (0.3 mmol, 1.0 equiv), 2aa (0.6 mmol, 2.0 equiv), K2CO3 (0.6 mmol, 2 equiv) and TpBr3Ag (10 mol%) in toluene (4 mL) at 80 °C. Ts tosyl.
