Table 3.

Influence of Electron Donor-Acceptor Distance Probability Distribution on Distance Dependence of PCET Rate Constant with Hydrogen Phosphate as Proton Acceptor.^a

P(RET)	Calc. |slope| (Å−1)	Calc. |slope| with ΔEele = 0 (Å−1)
Only third Gaussian	0.93	1.65
Only second and third Gaussians	0.81	1.65
All three Gaussians	0.60	1.82

^aThe first, second, and third Gaussian functions used to fit P(R_ET) are centered at increasing values of R_ET (Figures S5 and S6). The calculated magnitudes of the slopes were obtained from the calculated values of ln(k_PCET) versus the calculated ${\overline{R}}_{\text{ET}}$ values using the fitted Gaussian distributions (Table S6).