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ESR studies of (Cu(H<inf>2</inf>O)<inf>6</inf>)<sup>2+</sup> in magnesium sulfate heptahydrate
Date Issued
01-01-1978
Author(s)
Radhakrishna, S.
Bhaskar Rao, T.
Abstract
ESR studies of (Cu(H2O)6)2+ complex in magnesium sulfate heptahydrate are undertaken at 300, 150, and 77 K. The spin-Hamiltonian parameters at 150 K indicate a rhombic symmetry and are gx = 2.098 ± 0.002, gy = 2.089 ± 0.002, gz = 2.441 ± 0.002, ∥Ax∥ = (22 ± 1) × 10-4cm-1, ∥Ay∥ = (18 ± 1) × 10-4cm-1, and ∥Az∥ = (116 ± 1) × 10-4cm-1. The ground-state wavefunction of the (Cu(H2O)6)2+ complex at 150 K is calculated and the covalency and the admixture coefficient of ∥3z2 - r2> into the ground state are estimated. The covalency reflected in the ground-state wavefunction is found to be in conformity with the optical absorption data. The temperature dependence of spin-Hamiltonian parameters is explained on the basis of dynamic Jahn-Teller effects. © 1978.
Volume
32