Potential Energy Surfaces G(q)
Reactant G_R
Product G_P
Barrier ΔG‡
Marcus Rate vs. Driving Force (-ΔG°)
k_ET operating point
Model Parameters
Driving Force (ΔG°)
-0.80 eV
Reorganization (λ)
0.80 eV
Coupling (H_DA)
0.020 eV
Temperature (T)
298.15 K
Experimental Presets
Kinetic Telemetry
Activation Barrier ΔG‡
0.0000 eV
0.00 kJ/mol
Rate Constant k_ET
7.51e12 s⁻¹
Half-life (t_1/2)
0.092 ps
Crossing Coordinate q‡
0.000
• Classical Barrier: ΔG‡ = (λ + ΔG°)² / (4λ)
• Golden Rule: k_ET = (2π/ħ) |H_DA|² (4πλk_BT)-1/2 exp(-ΔG‡ / k_BT)
• Inverted Region: When |-ΔG°| > λ, rate drops as exothermicity increases.