Crystal Field Stabilization Energy (CFSE) Calculator
Compute the crystal field stabilization energy (CFSE) of an octahedral transition-metal complex from its t₂g and e_g electron counts and the octahedral splitting parameter Δₒ.
How to Use the Crystal Field Stabilization Energy (CFSE) Calculator
- Enter the number of electrons in the t₂g and e_g sets (from the d-electron configuration).
- Enter Δₒ for the ligand field in kJ/mol.
- Click Calculate.
Casi d'Uso
- •Inorganic chemistry homework.
- •Predicting complex stabilities.
- •Interpreting colour and magnetism of transition-metal ions.
Formula
CFSE = (−0.4 · n_t2g + 0.6 · n_eg) · Δₒ. Example: low-spin d⁶ Fe²⁺ has n_t2g = 6, n_eg = 0, so CFSE = −2.4 · Δₒ.
Domande Frequenti
What is Δₒ typically?
Values range from ~100 kJ/mol for weak-field ligands (F⁻, H₂O) to ~300 kJ/mol for strong-field ligands (CN⁻, CO) in the spectrochemical series.
Why −0.4 and +0.6?
In an octahedral field the three t₂g orbitals drop by 0.4·Δₒ (stabilising) while the two e_g orbitals rise by 0.6·Δₒ (destabilising). The weighted sum over occupied orbitals gives CFSE.