Abstract

ESR and optical studies have been carried out on Cu2+ doped (NH4)2Cd2(SO4)3 single crystals, which belong to the Langbeinite series, at room temperature and 77 K. The spin Hamiltonian parameters at 77 K were determined as g| = 2.027, g⊥ = 2.283 and A| = 95 × 10−4 cm−1, A⊥ = 31 × 10−4 cm−1. These parameters suggest that Cu2+ is in a compressed octahedral position. From the nature of the spectra it is deduced that the Cu2+ ion is entering the lattice interstitially, the charge compensation being achieved by the release of a pair of protons. The ground state wave function was found to be predominantly |3Z2 − r2〈 with a slight admixture from |X2 − Y2〈 orbitals. The bonding parameters were also evaluated.

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