Summary of the vertical MC state energies derived from the Tanabe–Sugano analysis of the RIXS spectra of 1, 2 and 3 (Fig. 5). The scaling factor for 3d electron repulsion Racah parameters is 75%: B = 0.110 eV and C = 0.406 eV (see ESI for details).
Complex | 10Dq (eV) | 3T1g (eV) | 3T2g (eV) | 1T1g (eV) | 1T2g (eV) |
---|---|---|---|---|---|
1 | 3.24 | 2.09 | 2.80 | 2.98 | 4.40 |
2 | 3.22 | 2.08 | 2.78 | 2.97 | 4.38 |
3 | 3.19 | 2.04 | 2.75 | 2.93 | 4.34 |
Average | 3.22 | 2.07 | 2.78 | 2.96 | 4.38 |