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Calculated direct electron transfer (DET) rates from the distal iron–sulfur cluster to a graphite electrode surface. Distances from distal iron–sulfur cluster to graphite surface (Z), overlap integrals of donor and acceptor orbitals (S), electronic coupling matrices (VDA), and calculated rates of electron transfer (ET) (kET).
| Distal FeS-Cluster Model | Z (Å) | S | VDA (cm−1) | kET (s−1) |
|---|---|---|---|---|
| [Fe4S4](Cys)3(His) | 12.3 | 5.3 × 10−6 | 4.4 × 10−2 | 5.1 × 103 |
| [Fe4S4](Cys)4 | 12.3 | 1.1 × 10−7 | 1.5 × 10−3 | 6.0 |
