EPR Studies of Cu²⁺ Doped Zinc Saccharin, [Zn(sac)₂·(H₂0)₄ ]·2H₂0 Single Crystals

Abstract

The EPR spectra of Cu 2+ in zinc saccharin crystalline powder and single crystals have been recorded at room temperature. The angular variation of the spectra indicates the substitution of the host Zn 2+ with Cu 2+ . Two magnetically inequivalent sites for Cu 2+ have been observed. The spectra were fitted with a rhombic spin-Hamiltonian, and the ground state wave function of the complex has been constructed.

Investigation of the EPR parameters of the rhombic Cu2+center in (NH4)2Mg(SO4)2·6H2O single crystal

“…(33) for Cu 2+ in some oxides, one can obtain the value κ ( ≈ 0.274) in consideration of the covalency factor N ( ≈ 0.84), consistent with the adopted κ ( ≈ 0.275) in Equation (8) for the studied DHMS:Cu 2+ here based on the EPR studies. In addition, this adopt κ is close to that (κ ≈ 0.2 − 0.3) for Cu 2+ in Tutton salts (34,35) and κ ( ≈ 0.291 (10)) adopted by the previous work and can be regarded as reasonable. The anisotropic core polarization constant κ ( ≈ 0.03 < < κ ≈ 0.275) can be described as the tiny difference in Cu 2+ 3d-4s orbital admixture between X and Y directions.…”

Theoretical studies of the local structures and EPR parameters for Cu^{2+} center in Cd_{2}(NH_{4})_{2}(SO_{4})_{3} single crystal

“…According to optical spectral studies for Cu 2+ in oxides with similar [CuO 6 ] 10− cluster [26,27], the cubic field parameter D q (≈ 1050 cm −1 ) and the orbital reduction factor k (≈ 0.84) can be obtained. From the core polarization constant κ (≈ 0.2 − 0.6 [8,9,20,24]) for Cu 2+ in many crystals with similar [CuO 6 ] 10− clusters, one can estimate κ (≈ 0.34) for the system studied here. In view of the anisotropic contributions to hyperfine structure constants from Cu 2+ 3d-3s (4s) orbital admixtures, the anisotropic core polarization constants are taken as κ ′ (≈ 0.021).…”

“…Meanwhile, the higher cubic orbital triplet 2 T 2g would be split into three singlets 2 B 1g (ζ), 2 B 2g (η) and 2 B 3g (ξ) [9]. Since the states 2 A 1g (θ) and 2 A 1g (ǫ) belong to the same representation of rhombic symmetry group, the ground state will be neither 2 A 1g (θ) nor 2 A 1g (ǫ) but an admixture of both [8,22], i.e.,…”

“…Among these transition metal ions, Cu 2+ ions with 3d 9 configuration are widely used as paramagnetic probes as they represent a relatively simple one-hole magnetic system which can be used to obtain information regarding the electron wave function when there is a ligand field of low symmetry. Thus, EPR spectra of Cu 2+ ion in different diamagnetic host lattices have been studied by many workers to get some data on the structure, dynamics and environment of host lattices [8][9][10][11][12]. For example, the EPR experiments were carried out for Cu 2+ doped in CAS single crystal, and the EPR parameters (anisotropic g factors g i and the hyperfine structure constants A i , i = x, y, z) were also measured for rhombic Cu 2+ center [13].…”

Synthesis, crystal structure, EPR spectra of Cu2+ doped catena-poly[[diaquabis(methylisonicotinate-N)cadmium(II)]-μ-(sulfato-O:O′)] single crystal

“…where the square of a 0 is the probability of finding the electron in the d orbitals of Cu 2+ ion [19]. The normalization condition for the mixing coefficients a and b is…”