Fig. 6: Gibbs free energy profile.
From: Iron-borane catalyzed carbonyl hydroboration and isolation of an iron(I)-ketyl radical
Calculated Gibbs free energy profile for the hydroboration of cyclohexylphenylketone by HBpin in the triplet state. Energies are from ωB97X-D3/def2-TZVP//r2SCAN−3c calculations, with r2SCAN−3c enthalpy and translational entropy corrections.
