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Calculated vertical excitation energy from the anionic ground state to the first anionic excited at the TDDFT wB97X-D3/ma-def2-TZVP level of theory.
| Anions | Vertical Excitation SOMO+1 ← SOMO (eV) |
|---|---|
| [Pt(CO)2F2]− | 0.58 |
| [Pt(CO)2Cl2]− | 0.44 |
| [Pt(CO)2Br2]− | 0.27 |
| [Pt(CO)2I2]− | 0.13 |
