The electronic structure of MnO4 2- as determined by ESR in K2SO4

M. Greenblatt, J. H. Pifer

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The electron spin resonance of MnO4 2- 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 A z=-147.6×10-4 cm-1. Az and gz make an angle of 7.8° and the only element of symmetry in the MnO4 2- tetrahedron is a xz mirror plane. The ground state is dxy similar to that of MnO4 2- in K 2CrO4 but different from the dz2 ground state of MnO4 2- in BaSO4 and BaSeO4. It is suggested that a dz2 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(l) and O(2) lie in the mirror plane.

Original languageEnglish (US)
Pages (from-to)529-534
Number of pages6
JournalThe Journal of Chemical Physics
Issue number1
StatePublished - Jan 1 1980

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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