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Studies of local structures for Cu2+ centers in M2Zn(SO4)2·6H2O (M = NH4 and Rb) crystals

  • Fu Chen , Jian-Rong Yang and Zi-Fa Zhou EMAIL logo
Published/Copyright: January 29, 2021
Zeitschrift für Naturforschung A
From the journal Zeitschrift für Naturforschung A Volume 76 Issue 4

Abstract

The electron paramagnetic resonance (EPR) parameters (g factor gi, and hyperfine structure constants Ai, with i = x, y, z) and local structures for Cu2+ centers in M2Zn(SO4)2·6H2O (M = NH4 and Rb) are theoretically investigated using the high order perturbation formulas of these EPR parameters for a 3d9 ion under orthorhombically elongated octahedra. In the calculations, contribution to these EPR parameters due to the admixture of d-orbitals in the ground state wave function of the Cu2+ ion are taken into account based on the cluster approach, and the required crystal-field parameters are estimated from the superposition model which enables correlation of the crystal-field parameters and hence the studied EPR parameters with the local structures of the Cu2+ centers. Based on the calculations, the Cu–H2O bonds are found to suffer the axial elongation ratio δ of about 3 and 2.9% along the z-axis, meanwhile, the planar bond lengths may experience variation ratio τ (≈3.8 and 1%) along x- and y-axis for Cu2+ center in (NH4)2Zn(SO4)2·6H2O and Rb2Zn(SO4)2·6H2O, respectively. The theoretical results show good agreement with the observed values.

Keywords: Cu2+; electron paramagnetic resonance (EPR); local structure; Tutton salts
Corresponding author: Zi-Fa Zhou, College of Physics and Electronic Information, Shangrao Normal College, Shangrao, Jiangxi334000, P. R. China; and Research Center of Intelligent Engineering Technology of Electronic Vehicle Parts in Jiangxi Province, Shangrao334001, P. R. China, E-mail:

Funding source: Foundation of Jiangxi Educational Committee

Award Identifier / Grant number: 6000216

Funding source: Chinese Natural Science Foundation

Award Identifier / Grant number: 11865013

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This work was financially supported by the Foundation of Jiangxi Educational Committee (6000216) and Chinese Natural Science Foundation (Grant No. 11865013).

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2020-11-19
Accepted: 2021-01-08
Published Online: 2021-01-29
Published in Print: 2021-04-27

© 2021 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. General
  3. Rapid Communication
  4. All waves have a zero tunneling time
  5. Atomic, Molecular & Chemical Physics
  6. Studies of local structures for Cu2+ centers in M2Zn(SO4)2·6H2O (M = NH4 and Rb) crystals
  7. Dynamical Systems & Nonlinear Phenomena
  8. Dynamics of liquid drop on a vibrating micro-perforated plate
  9. Inverse scattering method for the Kundu-Eckhaus equation with zero/nonzero boundary conditions
  10. Evolution of nonlinear stationary formations in a quantum plasma at finite temperature
  11. Solid State Physics & Materials Science
  12. Effect of ZnO nanoparticles on optical textures and image analysis properties of 7O.O5 liquid crystalline compound
  13. First-principles study on band gaps and transport properties of van der Waals WSe2/WTe2 heterostructure
  14. Dirac cones for graph models of multilayer AA-stacked graphene sheets
https://doi.org/10.1515/zna-2020-0326
Keywords for this article
Cu2+; electron paramagnetic resonance (EPR); local structure; Tutton salts

Articles in the same Issue

  1. Frontmatter
  2. General
  3. Rapid Communication
  4. All waves have a zero tunneling time
  5. Atomic, Molecular & Chemical Physics
  6. Studies of local structures for Cu2+ centers in M2Zn(SO4)2·6H2O (M = NH4 and Rb) crystals
  7. Dynamical Systems & Nonlinear Phenomena
  8. Dynamics of liquid drop on a vibrating micro-perforated plate
  9. Inverse scattering method for the Kundu-Eckhaus equation with zero/nonzero boundary conditions
  10. Evolution of nonlinear stationary formations in a quantum plasma at finite temperature
  11. Solid State Physics & Materials Science
  12. Effect of ZnO nanoparticles on optical textures and image analysis properties of 7O.O5 liquid crystalline compound
  13. First-principles study on band gaps and transport properties of van der Waals WSe2/WTe2 heterostructure
  14. Dirac cones for graph models of multilayer AA-stacked graphene sheets
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