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DFT and CCSD(T) calculations show that the weakest C-H bonds of N- and P-donor ligands are strengthened and deactivated upon metal-binding. The increase in C-H BDE and ΔG(‡) for H abstraction ranges from ca. 1 to 15 kcal mol(-1).

Does the metal protect the ancillary ligands? C–H strengthening and deactivation in amines and phosphines upon metal-binding