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Theoretical Investigation of the g Factors for Copper (II) Ion in an Orthorhombic Crystal and its Application to (CuCl4

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Theoretical Investigation of the g Factors for Copper (II) Ion in an Orthorhombic Crystal and its Application to (CuCl

4

)

2–

Cluster

Wen-Lin Feng

Department of Applied Physics, Chongqing University of Technology, Chongqing 400054, P. R. China

Reprint requests to W.-L. F.; E-mail: wenlinfeng@126.com

Z. Naturforsch.65a,251 – 253 (2010); received March 4, 2009 / revised July 3, 2009

On the basis of the crystal- and ligand-field theory, the high-order perturbation formulas of the g factors (gx,gy,gz) are established for Cu2+ions in an orthorhombic tetrahedral field with D2sym- metry, including the central cationic and ligand anionic spin-orbital coupling interactions. By using these formulas, the anisotropic g factors of Cu2+ion in (CuCl4)2cluster are calculated. The results are consistent with the experimental values. The calculations show that the contribution from cova- lency of the central ion and the 3p orbital ligand can not be neglected.

Key words:Crystal- and Ligand-Field; Electron Paramagnetic Resonance; Spin Hamiltonian;

(CuCl4)2Cluster.

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