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Overall computed barriers for hydroamination of A catalyzed by complexes with ancillary ligands with varied tether structures, starting from amine-bound (2) and olefin-bound (3) complexes. Each bar represents the energy difference between the transition state for proton transfer or reductive elimination and either the alkene-bound or amine-bound intermediate. The highest bar for each ligand represents the predicted highest barrier to hydroamination.
