. 2020 Aug 13;5(33):21067–21075. doi: 10.1021/acsomega.0c02669

Table 3. Calculated Vertical and Adiabatic Ionization Potential (IP/eV) and Electron Affinities (EA/eV) Together with Internal Reorganization Energies for Holes (λ_h/eV) and Electrons (λ_e/eV) of 1–5 in CH₂Cl₂ Solution.

compound	IP_v	IP_a	EA_v	EA_a	λ_h	λ_e
1	7.092	6.919	3.034	3.221	0.365	0.382
2	6.967	6.803	3.217	3.366	0.340	0.306
3	6.573	6.501	2.940	3.110	0.146	0.344
4	6.562	6.497	3.133	3.267	0.131	0.270
5	6.508	6.436	3.172	3.315	0.160	0.288

Table 3. Calculated Vertical and Adiabatic Ionization Potential (IP/eV) and Electron Affinities (EA/eV) Together with Internal Reorganization Energies for Holes (λh/eV) and Electrons (λe/eV) of 1–5 in CH2Cl2 Solution.