Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn−Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N(t-Bu)2]2

2009 ◽  
Vol 131 (2) ◽  
pp. 404-405 ◽  
Author(s):  
William M. Reiff ◽  
Charles E. Schulz ◽  
Myung-Hwan Whangbo ◽  
Jung In Seo ◽  
Yoon Sup Lee ◽  
...  
Keyword(s):  
High Spin ◽  
Teller Distortion ◽  
Orbital Magnetism ◽  
Jahn Teller ◽  
Jahn Teller Distortion ◽  
Coordinate Geometry ◽  
High Spin Iron

Mössbauer-Spektroskopische Untersuchungen an der high/low spin Eisen(II)-Verbindung Cs2FeHFeL(CN)6 / Mössbauer Spectroscopic Investigation of the High/Low Spin Iron(II) Compound Cs2FeHFeL(CN)6

1977 ◽  
Vol 32 (9) ◽  
pp. 992-997 ◽  
Author(s):  
W. D. Griebler ◽  
J. Pebler ◽  
K. Schmidt ◽  
D. Babel
Keyword(s):  
Magnetic Susceptibility ◽  
Low Temperature ◽  
Ir Spectra ◽  
High Spin ◽  
Spectroscopic Investigation ◽  
Ir Absorption ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion ◽  
High Spin Iron

By Mössbauer spectroscopy the cubic compound CsFe(CN)3, α = 5.208 Å, is shown to contain high and low spin iron(II) in 1:1 proportion independant of temperature 4.2 ≦ T ≦ 600 K. This gives evidence of isomorphism with the elpasolite Cs2MgFe(CN)6. The quadrupol splitting of the high spin iron(II) spectra strongly depends on temperature and vanishes beyond 400 K. This behaviour is interpreted in terms of static Jahn Teller distortion in the low temperature range, also indicated by the splitting of the IR absorption associated with the Fe-N stretching frequency.The data of Mössbauer and IR spectra, as well as of magnetic susceptibility measurements are given and discussed.

N-Substituted salicylaldimine complexes of manganese(III). Synthesis, magnetism, and spectra

1969 ◽  
Vol 22 (1) ◽  
pp. 39 ◽  
Author(s):  
A van den Bergen ◽  
KS Murray ◽  
MJ O'Conner ◽  
BO West
Keyword(s):  
High Spin ◽  
Infrared Spectra ◽  
Near Infrared ◽  
Magnetic Behaviour ◽  
Teller Distortion ◽  
Small Deviations ◽  
Near Infrared Spectra ◽  
Jahn Teller ◽  
Jahn Teller Distortion

Complexes of manganese(III) and N-substituted salicylaldimines have been prepared of general formulae Mn(sal-NR)3 and Nn(sal-NR)2X (X = Cl, Br, OAc). The complexes show high-spin magnetic behaviour with small deviations of the susceptibilities from the Curie law. Complexes of the type Mn(salen)X(X = Br, I) have also been studied and these show somewhat larger deviations from Curie behaviour. It is difficult to interpret this Curie-Weiss behaviour with certainty, but it can be explained for the salen derivatives, in particular, in terms of very weak antiferromagnetic interactions. The visible and near-infrared spectra for all the complexes are assigned. A Jahn-Teller splitting of the d-d transition is observed. Comparison of the i.r. spectra of the M(sal)3 derivatives (M = CrIII, MnIII, and FeIII) in the region 700-250 cm-1 has enabled assignments of the v(M-O) modes to be made. The spectra suggest that a Jahn-Teller distortion is operative in the Mn(sal)3 complex.

scholarly journals Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn–Teller Distortion

2015 ◽  
Vol 54 (13) ◽  
pp. 6319-6330 ◽  
Author(s):  
Laurence J. Kershaw Cook ◽  
Flora L. Thorp-Greenwood ◽  
Tim P. Comyn ◽  
Oscar Cespedes ◽  
Guillaume Chastanet ◽  
...  
Keyword(s):  
Phase Change ◽  
High Spin ◽  
Spin Crossover ◽  
Low Pressure ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion ◽  
Pressure Phase

Solid solutions of a Jahn-Teller compound in an undistorted host. 2. High-Spin, Six-Coordinate Cr2+ without Jahn-Teller Distortion

1991 ◽  
Vol 598 (1) ◽  
pp. 53-70 ◽  
Author(s):  
F. Albert Cotton ◽  
Larry R. Falvello ◽  
E. Lanelle Ohlhausen ◽  
Carlos A. Murillo ◽  
Jaime F. Quesada
Keyword(s):  
High Spin ◽  
Solid Solutions ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion

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.

Sign in / Sign up

Export Citation Format

Share Document