Part of JINC-01 — Coordination Compounds: Nomenclature, Isomerism & CFT

CFSE Calculation and Applications

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CFSE = (-0.4 x nt2gn_{t2g} + 0.6 x negn_{eg}) DeltaoctDelta_{oct}. For low spin complexes, add pairing energy correction. Maximum CFSE in octahedral: d3 (high spin) and d6 (low spin) give -1.2 and -2.4 DeltaoctDelta_{oct} respectively. Applications: (1) d3 Cr3+ and d6 Co3+ (low spin) form kinetically inert complexes. (2) Explains Irving-Williams series: Mn2+ < Fe2+ < Co2+ < Ni2+ < Cu2+ > Zn2+ for stability of divalent metal complexes. (3) Explains why spinel structures prefer certain cation distributions. (4) d0 and d5(HS) and d10 have zero CFSE — their complexes show no crystal field preference.

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