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. Author manuscript; available in PMC: 2021 Oct 14.
Published in final edited form as: J Am Chem Soc. 2020 Oct 1;142(41):17589–17597. doi: 10.1021/jacs.0c07763

Table 2.

Summary of the Thermochemical Properties for the Two Catalysts

Thermochemical parameter (bpy)Mn(CO)3H (mesbpy)Mn(CO)3H
pKa (experimental) 28.8 (±0.8) 28.5 ± 0.9
apKa (extrapolated) 26.4 (±0.1) 28.0 (±0.2)
aEMn0o −1.48 (±0.01) V −1.57 (±0.01) V
bEMn+o −1.48 (±0.01) V −1.57 (±0.01) V
ΔGHo(experimental) 50.7 (±1.1) kcal·mol−1 46.1 (±1.3) kcal·mol−1
dΔGHo(extrapolated) 47.5 (±0.4) kcal·mol−1 45.4 (±0.4) kcal·mol−1
a

From a plot of pKa versus reduction potential; see SI and ref.54

b

Reduction potential of the corresponding Mn(0) species, (N^N)Mn(CO)3, versus Fc+/0.

c

Reduction potential of the corresponding Mn(I) species, [(N^N)Mn(CO)3]+, versus Fc+/0.

d

Using the extrapolated pKa.