Skip to main content
. Author manuscript; available in PMC: 2020 Sep 25.
Published in final edited form as: J Am Chem Soc. 2019 Sep 12;141(38):15183–15189. doi: 10.1021/jacs.9b06849

Figure 3.

Figure 3.

Computed and experimental correlation between the logarithm of the PCET rate constant and the scaled free energy for four different para-substituents with the oxidant FeCp2+ for λ = 30 kcal/mol. Note that the calculations used the experimentally determined driving force for the H substituent as a reference and the experimentally determined rate constant for the CF3 substituent as a reference to clearly illustrate the slopes.