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Jablonski diagram of DETC. Excited states were optimized in acetonitrile (PCM model) using TD-CAM-B3LYP-D3(BJ)/def2-TZVP level of theory. Adiabatic energy values, including zero-point-energy (ZPE) correction, are reported in eV. Rates of transitions between different states, calculated using electronic structure parameters, obtained with TD-DFT approach, are listed in . Note: besides phosphorescence, nonradiative decay from the lowest triplet state to the ground state can also occur (not shown in the figure).

Journal: Chemical Science

Article Title: Two- and three-photon processes during photopolymerization in 3D laser printing †

doi: 10.1039/d4sc03527e

Figure Lengend Snippet: Jablonski diagram of DETC. Excited states were optimized in acetonitrile (PCM model) using TD-CAM-B3LYP-D3(BJ)/def2-TZVP level of theory. Adiabatic energy values, including zero-point-energy (ZPE) correction, are reported in eV. Rates of transitions between different states, calculated using electronic structure parameters, obtained with TD-DFT approach, are listed in . Note: besides phosphorescence, nonradiative decay from the lowest triplet state to the ground state can also occur (not shown in the figure).

Article Snippet: The quality of the TD-DFT setup for vertical excitation energies of DETC was confirmed by the GW (one-body Green's function with the dynamically screened Coulomb interaction) approximation and Bethe–Salpeter equation (BSE) implemented in TURBOMOLE v7.4 (see Tables S2 and S22 ).

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