Table 1 Energies and couplings in the Lut–Chl dimers.

From: Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants

Parameter

a612/Lut1 (L1)

a603/Lut2 (L2)

E(Chl*) Qy

15,587 ± 72

15,548 ± 74

E(Lut*) S2

21,114 ± 137

20,700 ± 135

E(Lut+Chl−)

20,255 ± 193

21,067 ± 191

E(Lut−Chl+)

26,027 ± 185

25,214 ± 173

V(Chl*, Lut*)

88 ± 185

176 ± 9

V(Chl*, Lut+Chl−)

240 ± 25

279 ± 18

λCT–LEa

5405

5052

ΔGCT–LEa

 −82

951

kCS(ns−1)b

34.0 (T = 29 ps)

4.9 (T = 205 ps)

  1. Average values and 95% confidence intervals of energies (E) and couplings (V), obtained from the sampling of 80 snapshots for each of the three monomers. Coupling averages are given as root mean square (RMS), instead of arithmetic mean. Reorganization energies (λ) and driving forces (ΔG) are also given, as estimated from the variance of the CT and LE energies. All values are in cm−1.
  2. aThese quantities refer to the lowest CT/LE states, i.e., chl* and lut+chl−.
  3. bEstimated rate/time of charge separation.
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