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. 2023 May 23;35(11):4498–4509. doi: 10.1021/acs.chemmater.3c00640

Figure 2.

Figure 2

Electronic state Jablonski diagrams for DAT, TrAT1, and TrAT2 estimated using TD-DFT calculations. Calculations were performed at the B3LYP 6-311G++(d,p) level using Gaussian09 software with an IEFPCM solvent model of benzene. Transition energies given in units of eV.