Jahn- Teller Theorem:

Prepared By: Tuba Ahmed Page 1

THEOREM:
In a nonlinear molecule, if degenerate orbitals are asymmetrically
occupied, a distortion will occur to remove the degeneracy

(or)

In an electronically degenerate state, a nonlinear molecule

undergoes distortion to remove the degeneracy by lowering the
symmetry and thus by lowering the energy.

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WHAT IS ELECTRONICALLY
DEGENERATE STATE :

An electronically degenerate state represents the availability of

more than one degenerate orbitals for an electron.

In this condition the degenerate orbitals are asymmetrically

occupied.

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FOR EXAMPLE :
In octahedral symmetry, the d1 configuration is said to be
electronically degenerate since three t2g orbitals with same
energy are available for the electron to occupy. In this condition,
the degenerate orbitals are also said to be asymmetrically
occupied by electrons.

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NON-DEGENARATE STATE:

• Example : Whereas the d3 configuration in octahedral geometry is

non-degenerate and symmetric.

It is not possible to put two electrons in one orbital, which is

against of Hund's rule.

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JAHN TELLER DISTORTION:
In the electronically degenerate state, the orbitals are said to be
asymmetrically occupied and get more energy.

Therefore the system tries to get rid of this extra energy by lowering
the overall symmetry of the molecule

i.e., undergoing distortion, which is otherwise known as Jahn Teller

distortion.

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TYPES OF DISTORTION :

Jahn teller distortion can be of two types.

1. Z-out distortion
2. Z-in distortion

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Z-OUT DISTORTION:

E.g. Usually the octahedral d2, d4 high spin, d7 low spin, d8 low
spin & d9 configurations show the z-out distortion.
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Z-IN DISTORTION:

E.g. The octahedral d1 configurations like Ti(III) in

[Ti(H2O)6]3+ can show z-in distortion
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Z-OUT VS Z-IN DISTORTION:

The Jahn Teller theorem cannaot predict which type of distortion

occurs.

But it is observed that that Z-out distortion is more common.

Jahn-Teller theorem does NOT predict how large a distortion

should occur.

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