A New One-Dimensional Bimetallic Complex: Cu(en)2Fe(CN)5(NO). Synthesis, Crystal Structure and Magnetic Behaviour

1998 ◽  
Vol 51 (8) ◽  
pp. 661 ◽  
Author(s):  
Hui-Zhong Kou ◽  
Hong-Mei Wang ◽  
Dai-Zheng Liao ◽  
Peng Cheng ◽  
Zong-Hui Jiang ◽  
...  
Keyword(s):  
Copper Complexes ◽  
Bond Distance ◽  
Chain Structure ◽  
Magnetic Behaviour ◽  
Teller Distortion ◽  
Magnetic Investigation ◽  
Jahn Teller ◽  
Cyanide Ligands ◽  
Jahn Teller Distortion ◽  
Shed Light

The nitrosyl cyanide Cu(en)2Fe(CN)5(NO) was prepared by the reaction of Cu(en)2Cl2 and Na2 [Fe(CN)5(NO)].2H2O in aqueous solution. Single-crystal X-ray structure analysis revealed that the complex assumes a cyanide-bridged chain structure in which iron(II) is coordinated by five cyanide ligands and a nitrosyl group, and copper(II) is coordinated by two ethylenediamine ligands and two bridging cyanide ligands. The copper centres display a typical Jahn–Teller distortion characteristic of octahedral copper complexes with bond distance deviations in lattice symmetry from octahedral ideality: Cu-N(equatorial, mean) 2·010(3) Å and Cu-N(axial, mean) 2·569(3) Å. Infrared and ultraviolet studies shed light on the above molecular structure. A magnetic investigation showed the presence of a weak antiferromagnetic interaction (J = -1·06 cm-1) between the copper atoms within each chain through the diamagnetic Fe(CN)5(NO)2- ions.

The one-dimensional chain structure of [Cu(en)2Pt(CN)4] (en is ethylenediamine)

2006 ◽  
Vol 62 (4) ◽  
pp. m862-m864 ◽  
Author(s):  
Takashiro Akitsu ◽  
Yasuaki Einaga
Keyword(s):  
Title Compound ◽  
Bond Distance ◽  
Chain Structure ◽  
Coordination Bond ◽  
Dimensional Chain ◽  
Teller Distortion ◽  
One Dimensional ◽  
Jahn Teller ◽  
The One ◽  
Jahn Teller Distortion

The title compound, catena-poly[di-μ-cyano-1:2κ2 C:N;1:2′κ2 C:N-dicyano-1-κ2 C-bis(ethylenediamine-2κ2 N,N′)platinum(II)copper(II)], [CuPt(CN)4(C2H8N2)2] n , (I), consists of one-dimensional chains running along the [111] direction. Both Cu and Pt atoms are located on centres of symmetry in an alternating array of [Cu(en)2]2+ (en is ethylenediamine) and [Pt(CN)4]2− units. The Pt—C coordination bond distances of 1.985 (4) and 1.995 (4) Å are longer than those of an analogous NiII complex. Moreover, due to Jahn–Teller distortion, the axial Cu—N bond distance of 2.562 (5) Å is longer than the equatorial ones of 2.014 (4) and 2.017 (4) Å.

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 Die Jahn-Teller-Verzerrung in den Kristallstrukturen der Dinatrium-Tetrafluorometallate Na2CuF4 und Na2CrF4 / The Jahn-Teller Distortion in the Crystal Structures of the Disodium-Tetrafluorometallates Na2CuF4 and Na2CrF4

1989 ◽  
Vol 44 (7) ◽  
pp. 715-720 ◽  
Author(s):  
Dietrich Babel ◽  
Michael Otto
Keyword(s):  
Crystal Structures ◽  
Chain Structure ◽  
Teller Distortion ◽  
Space Group ◽  
X Ray ◽  
Edge Sharing Octahedra ◽  
Jahn Teller ◽  
A Chain ◽  
Jahn Teller Distortion ◽  
Ray Methods

The crystal structures of the isotypic monoclinic fluorides Na2CuF4 (a = 326.7(1), b = 937.0(2), c = 561.2(1) pm, β = 92.49(1)°; V = 171.63 x10-30 m3) and Na2CrF4 (a = 334.8(1), b = 954.9(2), c = 566.5(3) pm, β = 92.85(3)°; V = 180.89 × 10-30 m3) have been redetermined by single crystal X-ray methods. The compounds are Jahn-Teller distorted variants of the orthorhombic Sr2PbO4type (space group Pbam) and crystallize with Z = 2 in space group P21/c, a subgroup of Pbam. They form a chain structure of edge-sharing octahedra which are strongly elongated. The following distances were obtained: Cu-F = 190.4/193.8/235,7(2) pm and Cr-F = 199.1/199.7/241.7(4) pm. The geometry is compared to that of the corresponding distorted rutile type difluorides; relations to further compounds are discussed.

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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