Scheme 3.
B3LYP/6–31+G(d,p)/LANL2DZ(Au) energetics of the reaction with alkenyl(fluoro)(hydroxy)borane as nucleophilic reagent in gas phase and in DCM (number in parenthesis, calculated with PCM as single point and with def2-TZVP for Au).
B3LYP/6–31+G(d,p)/LANL2DZ(Au) energetics of the reaction with alkenyl(fluoro)(hydroxy)borane as nucleophilic reagent in gas phase and in DCM (number in parenthesis, calculated with PCM as single point and with def2-TZVP for Au).