Electron paramagnetic resonance of Cu2+ in Na3PO4 center dot 8H(2)O single crystal

Abstract

The electron paramagnetic resonance spectra of Cu2+ in an Na3PO4. 8H(2)O single crystal were studied at room temperature. The spectra indicate the presence of two magnetically inequivalent sites and monoclinic symmetry of the crystal. The principal values of the g and the hyperfine tensors were determined and were found to be in agreement with the literature values. It is proposed that the Cu2+ ions replace the Na+ ions, and the charge compensation is fulfilled by the charge of a nearby proton vacancy of the coordinating water molecules. The ground state wavefunction of the Cu2+ is thought to be an admixture of the 3d(x2-y2) and 3d(z2) orbitals and the admixtures of the two magnetically inequivalent sites were obtained. (C) 2001 Elsevier Science Ltd. All rights reserved.