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Crystal Field Theory (CFT) explains bonding in coordination compounds using a purely electrostatic model. Ligands are treated as point charges (or point dipoles) that create an electric field around the central metal ion.
In a free metal ion, all five d-orbitals are degenerate (equal energy). When ligands approach, this degeneracy is broken. The pattern of splitting depends on geometry:
Octahedral: Ligands along x, y, z axes push dx2-y2 and dz2 (eg set) to higher energy (they point directly at ligands). dxy, dyz, dxz (t2g set) go lower. Splitting = Delta_oct. Barycentre maintained: t2g stabilised by 0.4 Delta_oct, eg destabilised by 0.6 Delta_oct.
Tetrahedral: Splitting is inverted. e set (dx2-y2, dz2) goes lower, t2 set (dxy, dyz, dxz) goes higher. Delta_tet = (4/9) Delta_oct. Small splitting means virtually always high spin.
Square planar: Energy order — dxz, dyz < dz2 < dxy < dx2-y2 (highest). Large splitting of dx2-y2 favours this geometry for d8 with strong field ligands.
CFSE (Crystal Field Stabilisation Energy) = sum of (-0.4 x n_t2g + 0.6 x n_eg) x Delta_oct. Maximum CFSE: d3 in high spin (-1.2 Delta_oct) and d6 in low spin (-2.4 Delta_oct). Zero CFSE: d0, d5 high spin, d10. CFSE determines thermodynamic stability, kinetic lability, colour preferences, and site preferences in crystal structures.