Theoretical explanation for Raman and ESR spectra of V<sup>3+</sup>ions in salt guanidinium vanadium sulfate hexahydrate

The local structure of the Cu 2+ centers in alkali lead tetraborate glasses was theoretically studied based on the optical spectra data and high-order perturbation formulas of the spin Hamiltonian parameters (electron paramagnetic resonance g factors g , g ⊥ and hyperfine structure constants A , A ⊥ ) for a 3d 9 ion in a tetragonally elongated octahedron. In these formulas, the relative axial elongation of the ligand O 2− octahedron around the Cu 2+ due to the Jahn-Teller effect is taken into account by considering the contributions to the g factors from the tetragonal distortion which is characterized by the tetragonal crystal-field parameters Ds and Dt. From the calculations, the ligand O 2− octahedral around Cu 2+ is determined to suffer about 19.2% relative elongation along the C 4 axis of the alkali lead tetraborate glass system, and a negative sign for A and a positive sign for A ⊥ for these Cu 2+ centers are suggested in the discussion.

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Theoretical Explanations of the Optical Band Positions and Local Structure for Cu²⁺Centers in ZnO-Bi₂O₃-B₂O₃-CuO Glasses

Yuan

2014

Acta Phys. Pol. A

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The local structure, two optical band positions and three electronic spin resonance parameters for Cu 2+ centers at the tetragonally-distorted octahedral sites in ZnO-Bi2O3-B2O3-CuO glasses are calculated from the high-order perturbation method based on the two-spin-orbit-parameter model, where the contributions from both the spinorbit coupling parameters of central d n ion and ligand ion are included. The theoretical results are in good agreement with the experimental values. The calculations show that the high-order perturbation method based on the two-spin-orbit-parameter model is eective in the explanations of optical spectra, electronic spin resonance parameters and local distortion structure for d 9 ions in glasses.

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Theoretical explanation for Raman and ESR spectra of V³⁺ions in salt guanidinium vanadium sulfate hexahydrate

Cited by 3 publications

References 18 publications

Theoretical explanation of electron paramagnetic resonance spectral data in vanadyl doped CdNaPO4·6H2O crystal

Theoretical explanation of electron paramagnetic resonance spectral data in vanadyl doped CdNaPO4·6H2O crystal

Investigation of the local structure of Cu²⁺ions doped in alkali lead tetraborate glasses by their electron paramagnetic resonance and optical spectra

Theoretical Explanations of the Optical Band Positions and Local Structure for Cu²⁺Centers in ZnO-Bi₂O₃-B₂O₃-CuO Glasses

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Theoretical explanation for Raman and ESR spectra of V3+ions in salt guanidinium vanadium sulfate hexahydrate

Cited by 3 publications

References 18 publications

Theoretical explanation of electron paramagnetic resonance spectral data in vanadyl doped CdNaPO4·6H2O crystal

Theoretical explanation of electron paramagnetic resonance spectral data in vanadyl doped CdNaPO4·6H2O crystal

Investigation of the local structure of Cu2+ions doped in alkali lead tetraborate glasses by their electron paramagnetic resonance and optical spectra

Theoretical Explanations of the Optical Band Positions and Local Structure for Cu2+Centers in ZnO-Bi2O3-B2O3-CuO Glasses

Contact Info

Product

Resources

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Theoretical explanation for Raman and ESR spectra of V³⁺ions in salt guanidinium vanadium sulfate hexahydrate

Investigation of the local structure of Cu²⁺ions doped in alkali lead tetraborate glasses by their electron paramagnetic resonance and optical spectra

Theoretical Explanations of the Optical Band Positions and Local Structure for Cu²⁺Centers in ZnO-Bi₂O₃-B₂O₃-CuO Glasses