Table 2.

Selected model molecular parameters for charge recombination kinetics

Sample	Nanosecond experiments						Femtosecond experiments
	T (K)	Model parametersa					Model parameters (room temperature only)
		Option	τ 12 (ns)	ΔG 1 (meV)	ΔG 2 (meV)	τ PB (ns)	τ 12 (ns)	ΔG 1 (meV)	τ PB (ns)
WT	298	a	4.3 ± 1.1	90 ± 18	128 ± 26	0.2	–	–	–
		b	4.2 ± 1.1	77 ± 17	119 ± 14	0.26 ± 0.15	3.1 ± 0.2	60 ± 17	0.26 ± 0.15
	78	a	6.1 ± 1.5	90 ± 18	128 ± 26	0.2	–	–	–
		b	6.0 ± 1.5	25 ± 4	48 ± 16	0.26 ± 0.15
ELL	296	a	6.5 ± 2.1	0	250	0.54 ± 0.05	–	–	–
		b	9.1 ± 3.7	22 ± 14	131 ± 14	0.32 ± 0.10	1.9 ± 0.4 (2.0 ± 0.3)	15 ± 15 (30 ± 15)	0.32 ± 0.10 (0.22 ± 0.10)
	78	a	5.0 ± 1.6	0	250	0.68 ± 0.13	–	–	–
		b	7.7 ± 2.8	7.9 ± 3.3	42 ± 10	0.32 ± 0.10
YLH	296	a	1.9 ± 0.5	0	250	1.30 ± 0.29	–	–	–
		b	3.7 ± 1.0	79 ± 16	140 ± 16	0.11 ± 0.07	1.0 ± 0.1	49 ± 15	0.11 ± 0.07
	78	a	1.5 ± 0.4	0	250	0.97 ± 0.22	–	–	–
		b	2.9 ± 0.8	19 ± 4	50 ± 11	0.11 ± 0.07
GML	RT	–	–	–	–	–	2.1	90	0.2

^aModel parameters for the nanosecond experiments were estimated from the fit parameters of the nanosecond kinetics shown in Table 1 and the formulae shown in the Appendix (Supporting Information). Assumed values are shown in italics (in most cases, ranges of assumed values were considered). Uncertainties of the model parameters were estimated using the formula: $u\left(y\right)=\sqrt{{\sum }_i{\left(u\left(x_i\right)\frac{\mathit{\partial }y}{\mathit{\partial }{x}_i}\right)}^2}$, where y is any of the model parameters, x _i is i-th independent variable (fit parameter), and $u\left(x_i\right)$ is the uncertainty of i-th independent variable (assumed to be ±20 %). Prior to uncertainty estimations, formulas for model parameters were transformed as a function of independent variables obtained directly from the fit, which were $A_1,A_2,A_0,{\mathit{\tau }}_1,{\mathit{\tau }}_2$. Options a—ΔG ₁ and ΔG ₂ values were assumed. Options b—ΔG ₁ and ΔG ₂ were free parameters. The two sets of model parameters for femtosecond experiments (ELL mutant) correspond to ways of estimation of ΔG ₁ depicted in Fig. 7 (the parameters in brackets correspond to Fig. 7a)