An investigation of spin-Hamiltonian parameters for Pd2+ ions in trigonal sites of CsMgCl3 crystals

This paper reports on a theoretical analysis of spin-Hamiltonian parameters and local lattice structure for Pd(I) center in γ-irradiated Pd(II)(acac) 2 . Through the crystal-and ligand-field theory, the microscopic spinHamiltonian parameters and local molecular structure for Pd(I) center in the γ-irradiated Pd(II)(acac) 2 system have been studied by using the high-order perturbation formulas and Newman's superposition model. Based on these calculations, it was found that the distance of the metal-ligand bonds in the square planar complex for Pd(I) center in the γ-irradiated Pd(II)(acac) 2 system increases by 0.1 Å. To understand the detailed physical and chemical properties of the [Pd(I)(acac) 2 ] 2-complex, the contributions of the spin-orbit coupling of ligand to spin-Hamiltonian parameters for Pd(I) ion are considered. The theoretical results are in reasonable agreement with the experimental values.

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Spin‐Hamiltonian parameters and local lattice structure for Pd(I) center in γ‐irradiated bis(acetylacetonato)palladium(II)

Feng

Zeng

Chen

et al. 2009

Cryst. Res. Technol.

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Theoretical studies of EPR g ‐factors and microstructure of the two tetragonal palladium centers in silver chloride

Feng

2009

Physica Status Solidi (b)

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The EPR g ‐factors g∥, g⊥ for two tetragonal Pd+ impurity centers (i.e. Pd+ I and II centers) in AgCl crystal are calculated by using the high‐order perturbation formulas of EPR parameters for the 4d9 ion in tetragonal symmetry with the ground state |dx 2–y 2〉. Based on the calculations, the defect models for the two centers are suggested as a substitutional Ag+ ion with (PdCl6)5– or the [(PdCl6)5– – VAg+] cluster. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Investigations of the spin-Hamiltonian parameters and tetragonal distortions due to Jahn–Teller effect for the monovalent d9 (Ni+, Pd+, Pt+) impurity centers in AgCl crystals

Feng

Yang

Zheng

et al. 2010

Journal of Alloys and Compounds

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An investigation of spin-Hamiltonian parameters for Pd2+ ions in trigonal sites of CsMgCl3 crystals

Cited by 11 publications

References 20 publications

Spin‐Hamiltonian parameters and local lattice structure for Pd(I) center in γ‐irradiated bis(acetylacetonato)palladium(II)

Spin‐Hamiltonian parameters and local lattice structure for Pd(I) center in γ‐irradiated bis(acetylacetonato)palladium(II)

Theoretical studies of EPR g ‐factors and microstructure of the two tetragonal palladium centers in silver chloride

Investigations of the spin-Hamiltonian parameters and tetragonal distortions due to Jahn–Teller effect for the monovalent d9 (Ni+, Pd+, Pt+) impurity centers in AgCl crystals

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