Table 1.

Computed and experimental 2° KIEs and EIEs

	Forward*		Reverse*		Equilibrium†
	Comp	Exp	Comp	Exp	Comp	Exp
H2a (H/T)**	1.33§	1.33¶	1.05§	1.05§	1.26§	1.33¶
H2b (H/D)**	1.06§	1.08∥	1.22§	1.24∥	0.87§	0.89∥
H2a (D/T)***	1.03§	1.03††	0.97§	1.01§

Experimental errors are omitted here for clarity but are available in SI Text. The 2° hydrogens H_2a and H_2b are indicated in Fig. 4.

^*The forward direction is the oxidation of benzyl alcohol and the reverse is the reduction of benzaldehyde.

^†Equilibria refer to the forward direction.

^**H transfer.

^§This work.

^¶Ref. 36.

^∥Ref. 12.

^***D transfer.

^††Ref. 18.