It is a simple matter to calculate this stabilisation since all that is needed is the electron configuration.
For an octahedral complex, an electron in the more stable t2g subset is treated as contributing -2/5Δ whereas an electron in the higher energy eg subset contributes to a destabilisation of +3/5Δ.
The final answer is then expressed as a multiple of the crystal field splitting parameter Δ (Delta).
Based on this, the Crystal Field Stabilisation Energies for d0 to d10 configurations can then be used to calculate the Octahedral Site Preference Energies, which is defined as: OSPE = CFSE (oct) - CFSE (tet)
Note: the conversion between Δoct and Δtet used for these calculations is:| Total d-electrons | Octahedral | Tetrahedral | OSPE | ||
|---|---|---|---|---|---|
| configuration | CFSE | configuration | CFSE | ||
| d0 | t2g0 | 0 Δo | e0 | 0 Δt | 0 Δo |
| d1 | t2g1 | -2/5 Δo | e1 | -3/5 Δt | -6/45 Δo |
| d2 | t2g2 | -4/5 Δo | e2 | -6/5 Δt | -12/45 Δo |
| d3 | t2g3 | -6/5 Δo | e2t21 | -4/5 Δt | -38/45 Δo |
| d4 | t2g3eg1 | -3/5 Δo | e2t22 | -2/5 Δt | -19/45 Δo |
| d5 | t2g3eg2 | 0 Δo | e2t23 | 0 Δt | 0 Δo |
| d6 | t2g4eg2 | -2/5 Δo + P | e3t23 | -3/5 Δt + P | -6/45 Δo |
| d7 | t2g5eg2 | -4/5 Δo + 2P | e4t23 | -6/5 Δt + 2P | -12/45 Δo |
| d8 | t2g6eg2 | -6/5 Δo + 3P | e4t24 | -4/5 Δt + 3P | -38/45 Δo |
| d9 | t2g6eg3 | -3/5 Δo + 4P | e4t25 | -2/5 Δt + 4P | -19/45 Δo |
| d10 | t2g6eg4 | 0 Δo | e4t26 | 0 Δt | 0 Δo |
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