Spectroscopic studies of Cu2+ ions doped in KZnClSO4 center dot 3H(2)O crystals

EPR, optical absorption and infrared spectral studies have been performed o n Cu2+ ions doped in KZnClSO4b. 3 H2O single crystals. The room temperature single crystal EPR spectra reveal the presence of two magnetically inequiv alent Cu2+ sites. The spin-Hamiltonian and molecular orbital parameters hav e been evaluated. The optical absorption spectrum at room temperature exhib its a broad band centred at 11900 cm(-1) which has been assigned to the tra nsition \3z(2) - r(2)] --> \xz, yz]. The ground state wavefunction of Cu2ions has been estimated and found to be predominantly \3z(2) - r(2)] with a slight admixture of \x(2) - y2]. The infrared spectra of KZnClSO4 . 3 H2O have been also studied in the wavelength range 4600 to 400 cm(-1). The obse rved bands are assigned to the low symmetry sulphate ion and the coordinati on of water molecules in the lattice.