INO-04

Octahedral CFSE

CFSE = (−0.4 nt + 0.6 ne) Δo. Crystal-field stabilisation.

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Crystal fieldCrystal-field theory

Governing equation

\mathrm{CFSE}=(-0.4 n_{t_{2g}}+0.6 n_{e_g})\Delta_o

where

n_{t2g}: t2g electrons (—)
n_{eg}: eg electrons (—)
\Delta_o: Octahedral splitting (kJ/mol)
CFSE: CFSE (kJ/mol)

Lecture brief

Historical brief

Pauling and Allred–Rochow electronegativity, Kapustinskii lattice energy, CFSE and Goldschmidt radii organise the periodic solid. The sheets predict bond character and crystal packing. This sheet (INO-04 — Octahedral CFSE) is the form associated with Crystal-field theory. Working symbols: $n_{t2g}$ , $n_{eg}$ , $\Delta_o$ $\rightarrow$ $CFSE$ . t2g is −0.4 Δo, eg is +0.6 Δo. Pairing energy is counted separately.

Purpose

Purpose: compute

CFSE

from

n_{t2g}

n_{eg}

\Delta_o

in Inorganic chemistry via

\mathrm{CFSE}=(-0.4 n_{t_{2g}}+0.6 n_{e_g})\Delta_o

CFSE = (−0.4 nt + 0.6 ne) Δo. Crystal-field stabilisation. Use it when a real inorganic chemistry question must be answered in SI before a code check.

Live realistic example

In symbols

Live case. Given

n_{t2g} = 6.000\,\mathrm{—}

n_{eg} = 0.000\,\mathrm{—}

\Delta_o = 250.000\,\mathrm{kJ/mol}

, the governing relation

\mathrm{CFSE}=(-0.4 n_{t_{2g}}+0.6 n_{e_g})\Delta_o

yields

CFSE = -600.0\,\mathrm{kJ/mol}

. Oh complex. Enter t2g and eg occupancies. Move a slider: the numbers are this situation, not a canned story.

Calculator

Inputs

t2g electrons n_{t2g}6 —eg electrons n_{eg}0 —Octahedral splitting \Delta_o250 kJ/mol

Outputs

CFSE CFSE-600.0 kJ/mol

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Narration of this film

Oh complex. Enter t2g and eg occupancies.

t2g is −0.4 Δo, eg is +0.6 Δo. Pairing energy is counted separately.

Reading speed

Watch on YouTube