Table 2. Summary of the [Ir(dCF₃) – PF₆] Born and Coulombic Correction Terms to the Change in the Gibbs Free Energy in Units of kcal/mol and the Measured Composite Rate Constant for the Formation of [Ir(dCF^·–₃)]⁰ in Each Solvent Condition in Units of s^–1a.

solvent	εr		ΔGs	ΔGPET	ΔGUncorrectedPET	krxn
hexafluorobenzene	2.02	31.3	–60.6	1.29	30.5	4.2 × 101
1,4-difluorobenzene	2.26	28.0	–53.8	4.75	30.5	2.6 × 101
87.5 (dfb)/12.5 (fbz)	2.67	23.7	–45.0	9.24	30.5	–2.9 × 100
75 (dfb)/25 (fbz)	3.08	20.5	–38.6	12.5	30.5	–1.4 × 101
50 (dfb)/50 (fbz)	3.91	16.2	–29.7	17.1	30.5	–1.4 × 101
25 (dfb)/75 (fbz)	4.73	13.4	–23.9	20.0	30.5	5.9 × 100
fluorobenzene	5.55	11.4	–19.9	22.1	30.5	–9.3 × 100
tetrahydrofuran	7.58	8.35	–13.7	25.3	30.5	7.9 × 100
α,α,α-trifluorotoluene	9.40	6.73	–10.3	27.0	30.5	–4.0 × 101
acetonitrile	37.5	1.68	0.00	32.2	30.5	9.7 × 101

^aThe Gibbs free energy change without corrections (ΔG^Uncorrected_PET) is also provided. The constants used to calculate the correction terms and ΔG_PET as a function of ε_r are listed as follows: F = 96485.3321 C · mol^–1, E^ox_1/2(D) = +2.626 V vs Fc^0/+, E^red_1/2(A) = – 1.07 V vs Fc^0/+, , q = 1.602176487 × 10^–19 C, n = 1, ε₀ = 8.854 × 10^–12 F · m^–1, z_D = – 1, z_A = +1, r_D = 1.71 × 10^–10 m, r_A = 5.16 × 10^–10 m, ε_D = ε_A = 37.5, R_DA = 5.25 × 10^–10 m.