Temperature Dependent Jahn-Teller Distortion in the Prussian Blue Analogue Cu0.47Ni0.48Mn0.55[Fe(CN)6]·7.8H2O

2013 ◽  
Vol 639 (3-4) ◽  
pp. 468-470 ◽  
Author(s):  
Min Liu ◽  
Jian Zhou ◽  
Ming-Xiang Xu
Keyword(s):  
Prussian Blue ◽  
Temperature Dependent ◽  
Teller Distortion ◽  
Prussian Blue Analogue ◽  
Jahn Teller ◽  
Jahn Teller Distortion

One-dimensional magnetic chain composed of CuII and polychlorinated dipyridylphenylmethyl radical: temperature-dependent Jahn–Teller distortion correlated to π-conjugation and magnetic properties

2019 ◽  
Vol 48 (21) ◽  
pp. 7090-7093
Author(s):  
Shun Kimura ◽  
Hikaru Uchida ◽  
Tetsuro Kusamoto ◽  
Hiroshi Nishihara
Keyword(s):  
Magnetic Properties ◽  
Temperature Dependent ◽  
Radical Chain ◽  
Teller Distortion ◽  
One Dimensional ◽  
Magnetic Chain ◽  
Jahn Teller ◽  
Jahn Teller Distortion

The Jahn–Teller distortion, π-conjugation mode, and magnetic properties were coupled in the ferromagnetic CuII-radical chain, resulting in unique properties.

Temperature-dependent X-ray absorption near edge spectroscopy of doped LaMnO3: Ion-size and the Jahn–Teller distortion effects

2009 ◽  
Vol 404 (8-11) ◽  
pp. 1404-1408 ◽  
Author(s):  
Y.T. Tsai ◽  
W.J. Chang ◽  
S.W. Huang ◽  
J.-Y. Lin ◽  
J.Y. Lee ◽  
...  
Keyword(s):  
Temperature Dependent ◽  
Teller Distortion ◽  
X Ray ◽  
Jahn Teller ◽  
Ion Size ◽  
X Ray Absorption ◽  
Jahn Teller Distortion

scholarly journals Unconventional Mn Vacancies in Mn–Fe Prussian Blue Analogs: Suppressing Jahn-Teller Distortion for Ultrastable Sodium Storage

Chem ◽  
2020 ◽  
Vol 6 (7) ◽  
pp. 1804-1818 ◽  
Author(s):  
Yang Shang ◽  
Xiaoxia Li ◽  
Jiajia Song ◽  
Shaozhuan Huang ◽  
Zhao Yang ◽  
...  
Keyword(s):  
Prussian Blue ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Prussian Blue Analogs ◽  
Jahn Teller Distortion ◽  
Sodium Storage

Magnetic Studies of Metal Ion Coordination Clusters Encapsulated with Thiacalixarene

2014 ◽  
Vol 67 (11) ◽  
pp. 1588 ◽  
Author(s):  
Rebecca O. Fuller ◽  
Karen L. Livesey ◽  
Robert C. Woodward ◽  
Allan J. McKinley ◽  
Brian W. Skelton ◽  
...  
Keyword(s):  
Metal Ion ◽  
Ferromagnetic Coupling ◽  
Temperature Dependent ◽  
Magnetic Studies ◽  
Teller Distortion ◽  
Ferromagnetic Exchange ◽  
Arene Complex ◽  
Magnetic Investigation ◽  
Jahn Teller ◽  
Jahn Teller Distortion

Three thiacalix[4]arene polynuclear complexes have been prepared by literature methods for detailed magnetic investigation. The [Fe3O(L)2] (LH4 = thiacalix[4]arene) complex is found to exhibit interesting anti-ferromagnetic exchange coupling. Jahn–Teller distortion in [Cu4(L)2] complex leads to strong anti-ferromagnetic coupling at low temperatures. The temperature-dependent susceptibility of the [(μ-H2O)Eu2(LH)2(DMF)4] complex is well described by a ground state involving the thermal population of the lowest three excited states.

The Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy

2020 ◽  
Author(s):  
Marta L. Vidal ◽  
Michael Epshtein ◽  
Valeriu Scutelnic ◽  
Zheyue Yang ◽  
Tian Xue ◽  
...  
Keyword(s):  
High Harmonic ◽  
Open Shell ◽  
Spin Coupling ◽  
High Symmetry ◽  
Teller Distortion ◽  
Spectral Window ◽  
X Ray ◽  
Jahn Teller ◽  
X Ray Absorption ◽  
Jahn Teller Distortion

We report a theoretical investigation and elucidation of the x-ray absorption spectra of neutral benzene and of the benzene cation. The generation of the cation by multiphoton ultraviolet (UV) ionization as well as the measurement of<br>the carbon K-edge spectra of both species using a table-top high-harmonic generation (HHG) source are described in the companion experimental paper [M. Epshtein et al., J. Phys.<br>Chem. A., submitted. Available on ChemRxiv]. We show that the 1sC -> pi transition serves as a sensitive signature of the transient cation formation, as it occurs outside of the spectral window of the parent neutral species. Moreover, the presence<br>of the unpaired (spectator) electron in the pi-subshell of the cation and the high symmetry of the system result in significant differences relative to neutral benzene in the spectral features associated with the 1sC ->pi* transitions. High-level calculations using equation-of-motion coupled-cluster theory provide the interpretation of the experimental spectra and insight into the electronic structure of benzene and its cation.<br>The prominent split structure of the 1sC -> pi* band of the cation is attributed to the interplay between the coupling of the core -> pi* excitation with the unpaired electron<br>in the pi-subshell and the Jahn-Teller distortion. The calculations attribute most of<br>the splitting (~1-1.2 eV) to the spin coupling, which is visible already at the Franck-Condon structure, and estimate the additional splitting due to structural relaxation to<br>be around ~0.1-0.2 eV. These results suggest that x-ray absorption with increased resolution might be able to disentangle electronic and structural aspects of the Jahn-Teller<br>effect in benzene cation.<br>

Jahn-Teller Effect in Hexahydroxocuprate(II) Complexes

1995 ◽  
Vol 60 (9) ◽  
pp. 1429-1434
Author(s):  
Martin Breza
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Potential Surface ◽  
Hydroxyl Group ◽  
Chemical Calculation ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Extremal Values ◽  
Jahn Teller Distortion

Using semiempirical CNDO-UHF method the adiabatic potential surface of 2[Cu(OH)6]4- complexes is investigated. The values of vibration and vibronic constants for Eg - (a1g + eg) vibronic interaction attain extremal values for the optimal O-H distance. The Jahn-Teller distortion decreases with increasing O-H distance. The discrepancy between experimentally observed elongated bipyramid of [Cu(OH)6]4- in Ba2[Cu(OH)6] and the compressed one obtained by quantum-chemical calculation is explainable by hydrogen bonding of the axial hydroxyl group.

Unveiling the role of Mn-interstitial defect and particle size on the Jahn-Teller distortion of the LiMn2O4 cathode material

2021 ◽  
Vol 490 ◽  
pp. 229519
Author(s):  
Renier Arabolla Rodríguez ◽  
Nelcy Della Santina Mohallem ◽  
Manuel Avila Santos ◽  
Demetrio A. Sena Costa ◽  
Luciano Andrey Montoro ◽  
...  
Keyword(s):  
Particle Size ◽  
Cathode Material ◽  
Teller Distortion ◽  
Interstitial Defect ◽  
Jahn Teller ◽  
Limn2o4 Cathode ◽  
Jahn Teller Distortion
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