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Borcherts, R. H.; Kanzaki, Hiroshi; Abe, Hidetarô

doi:10.1103/physrevb.2.23

Cited by 58 publications

(35 citation statements)

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“…Raman scattering transitions between the hindered rotational levels of vibronically coupled 2 E g ground state of Cu 2þ ion in CaO were investigated for varying temperature and applied strain [20] and electron paramagnetic resonance investigations on Jahn-Teller coupling effect for Cu 2þ ion in NaCl and CaO were made [21,22]. These works [20][21][22] showed that the Jahn-Teller energy [19] E JT for Cu 2þ ion in the octahedral sites of the compounds lies in the 900-6000 cm À1 range. The energy separation of about 0:4 eV ð3226 cm À1 Þ between the two (4.3 and 4:7 eV) IVCT transitions, ½Cu 2þ e g -½Fe 3þ t 2g ; in CuFe 2 O 4 lies in the predicted range by the Jahn-Teller coupling.…”

Section: Resultsmentioning

confidence: 98%

“…A number of theoretical and experimental studies [7,[19][20][21][22] have been performed on the Jahn-Teller effect. Raman scattering transitions between the hindered rotational levels of vibronically coupled 2 E g ground state of Cu 2þ ion in CaO were investigated for varying temperature and applied strain [20] and electron paramagnetic resonance investigations on Jahn-Teller coupling effect for Cu 2þ ion in NaCl and CaO were made [21,22].…”

Section: Resultsmentioning

confidence: 99%

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Magneto-optical investigation of spinel ferrite CuFe2O4: observation of Jahn–Teller effect in Cu2+ ion

Kim

Lee

2004

Journal of Magnetism and Magnetic Materials

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Section: Resultsmentioning

confidence: 98%

Section: Resultsmentioning

confidence: 99%

Magneto-optical investigation of spinel ferrite CuFe2O4: observation of Jahn–Teller effect in Cu2+ ion

Kim

Lee

2004

Journal of Magnetism and Magnetic Materials

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“…As a result, some tetrahalidocuprate(II) complexes were already examined by EPR spectroscopy. 9,[54][55][56][57][58] The recent past has seen an increasing interest in halidocuprate(II) and EPR spectroscopy investigations supported by X-ray structure determination on doped crystals, 59 powders of single crystals with different and somewhat sterically demanding cations, [60][61][62][63][64] and single crystals. 65 Compared to chloridocuprate(II) complexes, there is currently relatively little knowledge on the bromide complexes.…”

Section: Introductionmentioning

confidence: 99%

Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii)

et al. 2011

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Tetrahalidocuprates(II) show a high degree of structural flexibility. We present the results of crystallographic and electron paramagnetic resonance (EPR) spectroscopic analyses of four new tetrabromidocuprate(II) compounds and compare the results with previously reported data. The cations in the new compounds are the sterically demanding benzyltriphenylphosphonium, methyltriphenylphosphonium, tetraphenylphosphonium, and hexadecyltrimethylammonium ions; they were used to achieve a reasonable separation of the paramagnetic Cu(II) ions for EPR spectroscopy. X-Ray crystallography shows that in all four complexes the [CuBr 4 ] 2À units have a distorted tetrahedral coordination geometry which is in agreement with DFT calculations. The EPR hyperfine structure was not resolved. This is due to the exchange broadening resulting from still incomplete separation of the paramagnetic Cu(II) centres. Nevertheless, the principal values of the electron Zeemann tensor (g || and g > ) of the complexes could be determined. A correlation of structural (X-ray) parameters with the spin density at the copper centres (DFT) is well reflected in the EPR spectra of the bromidocuprates. This enables the correlation of X-ray and EPR parameters to predict the structure of tetrabromidocuprates in physical states other than the crystalline state. As a result, we provide a method to structurally characterize [CuBr 4 ] 2À in, for example, ionic liquids or in solution, which has important implications for e.g. catalysis or materials science.

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“…1,2 For example, Cu 2+ ion in cubic M Cl (M = Ag, Na) crystals were studied by EPR technique. 3,4 It is found that in both crystals, Cu 2+ ions occupy the octahedral M sites and the symmetry of (CuCl 6 ) 4− clusters is tetragonal. 3,4 The spin-Hamiltonian (SH) parameters (g factors g , g ⊥ and hyperfine structure constants A , A ⊥ ) of these tetragonal Cu 2+ centers in both crystals were obtained from the studies.…”

Section: Introductionmentioning

confidence: 98%

“…3,4 It is found that in both crystals, Cu 2+ ions occupy the octahedral M sites and the symmetry of (CuCl 6 ) 4− clusters is tetragonal. 3,4 The spin-Hamiltonian (SH) parameters (g factors g , g ⊥ and hyperfine structure constants A , A ⊥ ) of these tetragonal Cu 2+ centers in both crystals were obtained from the studies. 3,4 No satisfactory and quantitative explanations based on the microscopic mechanisms for these SH parameters were made.…”

Section: Introductionmentioning

confidence: 98%

STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu²⁺ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL

Yang

Zheng

2010

Int. J. Mod. Phys. B

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In this paper, based on a two-mechanism model, we derive the complete high-order perturbation formulas of the spin-Hamiltonian (SH) parameters (g factors g , g ⊥ and hyperfine structure constants A , A ⊥ ) for 3d 9 ions in tetragonally elongated octahedral clusters. In the model, the contributions to SH parameters due to the crystal-field (CF) mechanism related to CF excited states and the charge-transfer (CT) mechanism related to CT exacted states (the CT mechanism is neglected in CF theory, which is widely used to study the SH parameters) are taken into account. From these formulas, the SH parameters of Cu 2+ ions in AgCl and NaCl crystals are calculated. It is found that for the exact explanation of SH parameters of (CuCl 6 ) 4− clusters in crystals, the contribution due to CT mechanism should be considered. The relative importance of CT mechanism (characterized by Q CT /Q CF , where Q = ∆g i or A(2) i , i = or ⊥) increases with the decreasing metal-ligand distance in (CuCl 6 ) 4− clusters. The causes are discussed. The signs of A i and the defect structures of Cu 2+ centers in AgCl and NaCl crystals are suggested from the calculations.

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EPR Spectrum of a Jahn-Teller System, NaCl:Cu+2

Cited by 58 publications

References 8 publications

Magneto-optical investigation of spinel ferrite CuFe2O4: observation of Jahn–Teller effect in Cu2+ ion

Magneto-optical investigation of spinel ferrite CuFe2O4: observation of Jahn–Teller effect in Cu2+ ion

Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii)

STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu²⁺ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL

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EPR Spectrum of a Jahn-Teller System, NaCl:Cu+2

Cited by 58 publications

References 8 publications

Magneto-optical investigation of spinel ferrite CuFe2O4: observation of Jahn–Teller effect in Cu2+ ion

Magneto-optical investigation of spinel ferrite CuFe2O4: observation of Jahn–Teller effect in Cu2+ ion

Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii)

STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL

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STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu²⁺ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL