Fig. 4.

DFT (B3LYP/LANL2DZ)-optimized geometries of the Cu(I) complexes bearing 1, 2, 3, 5, 10, 11 ligands (A–F, respectively), in which the EG₄ group was replaced with a methyl group. Red: Cu, blue: N, gray: C. Hydrogen atoms were omitted for clarity. The average of the three bond angles between N(1)−Cu−N(2), oxidation rate V_o (10⁻⁸ M s⁻¹), and CuAAC second-order rate constants k_obs (M⁻¹s⁻¹) were labeled on each complex.