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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.
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 ...
This could also be described as a positive "hole" that moves from the e g to the t 2g orbital set. The sign of Dq is opposite that for d 1, with a 2 E g ground state and a 2 T 2g excited state. Like the d 1 case, d 9 octahedral complexes do not require the Tanabe–Sugano diagram to predict their absorption spectra.
Its distorted octahedral structure reflects geometric distortions due to the Jahn–Teller effect. The two most common structures for this complex include one with tetragonal elongation and one with tetragonal compression. For the elongation, two Mn–O bonds are 2.12 Å while the other four are 1.93 Å.
The term "octahedral" is used somewhat loosely by chemists, focusing on the geometry of the bonds to the central atom and not considering differences among the ligands themselves. For example, [Co(NH 3) 6] 3+, which is not octahedral in the mathematical sense due to the orientation of the N−H bonds, is referred to as octahedral. [2]
The Renner-Teller effect is a phenomenon in molecular spectroscopy where a pair of electronic states that become degenerate at linearity are coupled by rovibrational motion. [ 1 ] The Renner-Teller effect is observed in the spectra of molecules that have electronic states that allow vibration through a linear configuration.
Isaac B. Bersuker (Russian: Исаáк Бóрухович (Бори́сович) Берсýкер; born February 12, 1928) is a Romanian-born Soviet-Moldоvan-American theoretical physicist and quantum chemist whose principal research is in chemical physics, solid-state physics, and theoretical chemistry.