Fig. 4: Calculated reaction pathway for the addition of Cp*ZnZnCp* to 1a–1c.
a, Calculated potential energy surface. b, Transition state geometry for E = Si. Gibbs energies reported in kcal mol−1. Calculations G09: M06L/def2TZVPP/PCM (benzene)//M06L/6-31G**/6-311+G*/ SDDAll (Al, Zn). L2, β-diketiminate ligand.
