Search results
Results From The WOW.Com Content Network
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 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.
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 term can also refer to octahedral influenced by the Jahn–Teller effect, which is a common phenomenon encountered in coordination chemistry. This reduces the symmetry of the molecule from O h to D 4h and is known as a tetragonal distortion.
The octahedral ion [Fe(NO 2) 6] 3−, which has 5 d-electrons, would have the octahedral splitting diagram shown at right with all five electrons in the t 2g level. This low spin state therefore does not follow Hund's rule. High Spin [FeBr 6] 3− crystal field diagram
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.
Deviation from octahedral geometry can be ascribed to a second-order Jahn-Teller distortion. [ 9 ] [ 10 ] In 1995, before the work of Seppelt and Pfennig, Landis and coworkers had already predicted a distorted trigonal prismatic structure based on valence bond theory and VALBOND calculations.