Revealing the Spin-Hamiltonian and Characteristic Parameters of Paramagnetic Centers in Cu2+-Doped Potassium Metabisulfite (K2S2O5) Single Crystal by Electron Paramagnetic Resonance Technique

The present study is mainly related to finding out spin-Hamiltonian parameters of Cu²⁺-doped potassium metabisulfite [K₂S₂O₅] single crystals using electron paramagnetic resonance (EPR) technique which has been applied in the temperature range from 297 to 113 K for single and powder crystals of the title compound. The existence of two complexes and two Cu²⁺ sites for each complex was concluded from the angular variation of the EPR spectra. Having constructed the g and the hyperfine tensors, the spin-Hamiltonian parameters have been obtained for these two complexes. Using these parameters, the covalency parameter (α ²), mixing coefficients (α and β) and Fermi contact term (K) have been calculated.