Spectroscopic Studies of Cu2+ Ions Doped in KZnClSO4 � 3H2O Crystals

Abstract

EPR, optical absorption and infrared spectral studies have been performed on Cu 2+ ions doped in KZnClSO 4 . 3 H 2 O single crystals. The room temperature single crystal EPR spectra reveal the presence of two magnetically inequivalent Cu 2+ sites. The spin-Hamiltonian and molecular orbital parameters have been evaluated. The optical absorption spectrum at room temperature exhibits a broad band centred at 11900 cm -1 which has been assigned to the transition |3z 2 - r 2 > → |xz, yz>. The ground state wavefunction of Cu 2+ ions has been estimated and found to be predominantly |3z 2 - r 2 > with a slight admixture of |x 2 - y 2 >. The infrared spectra of KZnClSO 4 . 3 H 2 O have been also studied in the wavelength range 4600 to 400 cm -1 . The observed bands are assigned to the low symmetry sulphate ion and the coordination of water molecules in the lattice.