The electronic structure of MnO42− as determined by ESR in K2SO4

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Abstract
The electron spin resonance of MnO42− has been studied at 4.2 K in single crystal K2SO4. The principal values of the g and A tensors are gx=1.9757, gy=1.9696, gz=1.9445, Ax=−21.0×10−4 cm−1, Ay=−25.5×10−4 cm−1, and Az=−147.6×10−4 cm−1. Az and gz make an angle of 7.8° and the only element of symmetry in the MnO42− tetrahedron is a xz mirror plane. The ground state is dxy similar to that of MnO2−4 in K2CrO4 but different from the dxy ground state of MnO2−4 in BaSO4 and BaSeO4. It is suggested that a dz22 ground state will be stabilized whenever the host XO4 tetrahedron is distorted so that the angle O(1)–X–O(2) is greatly different from the angle O(3)–X–O(3′) where O(1) and O(2) lie in the mirror plane.

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