Transient Exciplex Formation Electron Transfer Mechanism

Figure 1

(Top) Dependences of the free energy on the medium and reactants reorganization coordinate 𝑠 for isoergonic ET reaction for different distances between reactant molecules: 𝑟_AD=0.35 nm, 𝑉_AD=0.22 eV (1), 𝑟_AD=0.5 nm, 𝑉_AD=0.1 eV (2), 𝑟_AD=0.7 nm, 𝑉_AD=0.04 eV (3), 𝑟_AD=1.0 nm, 𝑉_AD=0.008 eV (4). Parabolic terms of the locally excited and charge transfer states 𝜆𝑠² and 𝜆(1−𝑠)² were used. (Bottom) Dependences of the reorganization energy, 𝜆 (1), electronic coupling, 𝑉_AD (2), and intermolecular Lennard-Jones potential, 𝑈_LJ (3), on the distance between reactant molecules, 𝑟_AD (see the Appendix).