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. 2011 May 19;133(25):9863–9871. doi: 10.1021/ja2019367

Table 5. Driving Forces (ΔG°)a, Reorganization Energies (λ), and Electronic Coupling Values (V) for Charge Recombination in PnC60 Obtained from Individual Fits Assuming Recombination to the First Excited Triplet State or Directly to the Ground State.

  P1C60 P2C60 P2C60 P3C60 P4C60 P6C60
parameter   180–240 K 240–300 K      
Assuming Recombination to the First Triplet Excited State
ΔG°/eV +0.12 –0.13 –0.13 –0.24 –0.30 –0.33
λ/eV 0.33 0.49 0.47 0.53 0.57
V/cm–1 4.5 11.5 4.2 3.8 3.52
Assuming Recombination to the Ground State
ΔG°/eV –1.29 –1.30 –1.30 –1.31 –1.31 –1.31
λ/eV 0.95 0.96 0.83 0.98 0.99 0.99
V/cm–1 8.1 5.8 13.1 5.0 4.5 4.0
a

ΔG° values for P1C60, P2C60, and P4C60 were taken from refs (44) and (49). The values for P3C60 and P6C60 were obtained by interpolation and extrapolation of a plot of ΔG° vs 1/n, where n is the number of porphyrin units.