Fig. 5. Computed free energy reaction profile (kcal mol–1, BP86-D3 (CH2Cl2) level) for formation of 9 from 10 (R = tBu) with equivalent data for R = Ph provided in italics. All free energies are quoted relative to 10 + free H3B·PHR2 at 0.0 kcal mol–1; see Fig. 4 for details of species 11, 11′ and 11′′ when R = tBu.
