Fig. 8: DFT studies on the key migratory insertion step.

a transition states for the reaction with boron-diyne 1. b transition states for the reaction with BN–alkyne 44. Bond distances and energies are given in Å and kcal/mol, respectively.

a transition states for the reaction with boron-diyne 1. b transition states for the reaction with BN–alkyne 44. Bond distances and energies are given in Å and kcal/mol, respectively.