Computational investigation of the Jahn-Teller effect in the ground and excited electronic states of the tropyl radical. Part I. Theoretical calculation of spectroscopically observable parameters

2008 ◽  
Vol 128 (8) ◽  
pp. 084310 ◽  
Author(s):  
Vadim L. Stakhursky ◽  
Ilias Sioutis ◽  
György Tarczay ◽  
Terry A. Miller
Keyword(s):  
Theoretical Calculation ◽  
Electronic States ◽  
Teller Effect ◽  
Computational Investigation ◽  
Excited Electronic States ◽  
Jahn Teller ◽  
Jahn Teller Effect

Cooperative Pseudo Jahn-Teller Effect as Microscopic Mechanism of (OMT)-(LTT) Structural Phase Transition in La2−xBaxCuO4Superconductors

1992 ◽  
Vol 291 ◽  
Author(s):  
Michael D. Kaplan
Keyword(s):  
Phase Transition ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Electronic States ◽  
Teller Effect ◽  
Excited Electronic States ◽  
Microscopic Mechanism ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Local Distortions

ABSTRACTA microscopic mechanism for the structural phase transition from the orthorhombic mediate temperature (OMT) phase into the low temperature tetragonal (LTT) one is suggested on the basis of the cooperative pseudo Jahn-Teller effect. The local distortions mixing the ground and the first excited electronic states are ordered antiferrodistortively and are connected in part, with the oxygen octahedra rotations around the [100] axis. The results are in agreement, with the neutron scattering experiments data.

scholarly journals The Static Jahn-Teller Effect in the Excited Electronic States of Benzene, Triphenylene, and Coronene.

1996 ◽  
pp. 231-240
Author(s):  
Mitsunobu NAKAYAMA ◽  
Hiroyuki SHIMIZU ◽  
Sadachika AKIYAMA ◽  
Yoshiyuki KOMURA ◽  
Keizo SUZUKI ◽  
...  
Keyword(s):  
Electronic States ◽  
Teller Effect ◽  
Excited Electronic States ◽  
Jahn Teller ◽  
Jahn Teller Effect

scholarly journals The Jahn–Teller effect in the presence of partial isotopic substitution: the B̃1E′′ state of NH2D and NHD2

2015 ◽  
Vol 17 (21) ◽  
pp. 14145-14158 ◽  
Author(s):  
Ashim Kumar Saha ◽  
Gautam Sarma ◽  
Chung-Hsin Yang ◽  
Sebastiaan Y. T. van de Meerakker ◽  
David H. Parker ◽  
...  
Keyword(s):  
Force Field ◽  
Field Model ◽  
Electronic States ◽  
Teller Effect ◽  
Isotopic Substitution ◽  
Quadratic Force Field ◽  
Jahn Teller ◽  
Jahn Teller Effect

A simple linear and quadratic force field model for the lifting of the degeneracy on asymmetric isotopic substitution in degenerate electronic states subject to a weak Jahn–Teller effect.

Ultrafast dynamics in LMCT and intraconfigurational excited states in hexahaloiridates(iv), models for heavy transition metal complexes and building blocks of quantum correlated materials

2020 ◽  
Vol 22 (30) ◽  
pp. 17351-17364
Author(s):  
Darya S. Budkina ◽  
Firew T. Gemeda ◽  
Sergey M. Matveev ◽  
Alexander N. Tarnovsky
Keyword(s):  
Excited States ◽  
Transition Metal Complexes ◽  
Electronic States ◽  
Building Blocks ◽  
Ultrafast Dynamics ◽  
Relaxation Dynamics ◽  
Excited Electronic States ◽  
Ultrafast Relaxation ◽  
Jahn Teller ◽  
Jahn Teller Effect

Two heavy octahedral Ir(iv) halides in intraconfigurational and LMCT excited electronic states with ultrafast relaxation dynamics driven by the Jahn–Teller effect.

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