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The Jahn–Teller effect (JT effect or JTE) is an important mechanism of spontaneous symmetry breaking in molecular and solid-state systems which has far-reaching consequences in different fields, and is responsible for a variety of phenomena in spectroscopy, stereochemistry, crystal chemistry, molecular and solid-state physics, and materials science.
Second-order Jahn-Teller distortion provides a rigorous and first-principles approach to the distortion problem. The interactions between the HOMOs and LUMOs to afford a new set of molecular orbitals is an example of second-order Jahn-Teller distortion.
English: A conceptual comparison of the Jahn-Teller and pseudo Jahn-Teller effects, showing the mutual relation of two potential energy surfaces (PES) in the two cases. The number of PES is two in this picture but it can be more in actual molecular or solid-state systems.
The prominent shoulder in this absorption band is due to a Jahn–Teller distortion which removes the degeneracy of the two 2 E g states. However, since these two transitions overlap in a UV-vis spectrum, this transition from 2 T 2g to 2 E g does not require a Tanabe–Sugano diagram.
In this structure, the copper centers are octahedral. Most copper(II) compounds exhibit distortions from idealized octahedral geometry due to the Jahn-Teller effect, which in this case describes the localization of one d-electron into a molecular orbital that is strongly antibonding with respect to a pair of
The pseudo Jahn–Teller effect (PJTE), occasionally also known as second-order JTE, is a direct extension of the Jahn–Teller effect (JTE) where spontaneous symmetry breaking in polyatomic systems (molecules and solids) occurs even when the relevant electronic states are not degenerate. The PJTE can occur under the influence of sufficiently ...
The loss of degeneracy upon the formation of an octahedral complex from a free ion is called crystal field splitting or ligand field splitting. The energy gap is labeled Δ o, which varies according to the number and nature of the ligands. If the symmetry of the complex is lower than octahedral, the e g and t 2g levels can split
Some mechanisms that allow it are angular momentum couplings, spin-orbit coupling, lattice distortions (Jahn–Teller effect), and other interactions described by crystal field theory. [ 1 ]
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