Investigations of the EPR Parameters and Local Lattice Structure for the Rhombic Cu2+ Centre in TZSH Crystal
-
Chao-Ying Li
,
Shi-Fei Liu
Abstract
The electron paramagnetic resonance (EPR) parameters [i.e. g factors gi (i=x, y, z) and hyperfine structure constants Ai] and the local lattice structure for the Cu2+ centre in Tl2Zn(SO4)2·6H2O (TZSH) crystal were theoretically investigated by utilising the perturbation formulae of these parameters for a 3d9 ion under rhombically elongated octahedra. In the calculations, the admixture of d orbitals in the ground state and the ligand orbital and spin-orbit coupling interactions are taken into account based on the cluster approach. The theoretical EPR parameters show good agreement with the observed values, and the Cu2+–H2O bond lengths are obtained as follows: Rx≈1.98 Å, Ry≈2.09 Å, Rz≈2.32 Å. The results are discussed.
Acknowledgements
This work was financially supported by Chinese Natural Science Foundation (Grant Nos. 11365017 and 11465015).
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©2016 by De Gruyter
Artikel in diesem Heft
- Frontmatter
- Review Article
- The Strange (Hi)story of Particles and Waves
- Research Articles
- Optical Response of Mixed Molybdenum Dichalcogenides for Solar Cell Applications Using the Modified Becke–Johnson Potential
- A Numerical Study for the Relationship between Natural Manganese Dendrites and DLA Patterns
- Nonlocal Symmetry and Consistent Tanh Expansion Method for the Coupled Integrable Dispersionless Equation
- Soliton Solutions of a Generalised Nonlinear Schrödinger–Maxwell–Bloch System in the Erbium-Doped Optical Fibre
- Studies of the Local Distortions and the EPR Parameters for Cu2+ in xLi2O-(30–x)Na2O-69·5B2O Glasses
- Investigations of the EPR Parameters and Local Lattice Structure for the Rhombic Cu2+ Centre in TZSH Crystal
- Unsteady Mixed Bioconvection Flow of a Nanofluid Between Two Contracting or Expanding Rotating Discs
- Nonorthogonal Stagnation-point Flow of a Second-grade Fluid Past a Lubricated Surface
- Constructing a Variable Coefficient Integrable Coupling Equation Hierarchy and its Hamiltonian Structure
Artikel in diesem Heft
- Frontmatter
- Review Article
- The Strange (Hi)story of Particles and Waves
- Research Articles
- Optical Response of Mixed Molybdenum Dichalcogenides for Solar Cell Applications Using the Modified Becke–Johnson Potential
- A Numerical Study for the Relationship between Natural Manganese Dendrites and DLA Patterns
- Nonlocal Symmetry and Consistent Tanh Expansion Method for the Coupled Integrable Dispersionless Equation
- Soliton Solutions of a Generalised Nonlinear Schrödinger–Maxwell–Bloch System in the Erbium-Doped Optical Fibre
- Studies of the Local Distortions and the EPR Parameters for Cu2+ in xLi2O-(30–x)Na2O-69·5B2O Glasses
- Investigations of the EPR Parameters and Local Lattice Structure for the Rhombic Cu2+ Centre in TZSH Crystal
- Unsteady Mixed Bioconvection Flow of a Nanofluid Between Two Contracting or Expanding Rotating Discs
- Nonorthogonal Stagnation-point Flow of a Second-grade Fluid Past a Lubricated Surface
- Constructing a Variable Coefficient Integrable Coupling Equation Hierarchy and its Hamiltonian Structure
