The calculation formulas of g-factors g(parallel to) and g(perpendicular to) for 3d(7) ion in tetragonal octahedral crystals are established from a cluster approach. In these formulas, the parameters related to covalency effect, configuration interaction and low-symmetry crystal field can be determined from the optical spectra and the structural data of the studied system. Based on these formulas, the structural parameters of ligand octahedra of Co2+ in Rb2MgF4 crystal are obtained by fitting the calculated g(parallel to) and g(perpendicular to) to the observed values. The result suggests that the CoF6 (and hence MgF6) octahedra in Rb2MgF4:Co2+ are tetragonal compressed. The relationship between the sign of Delta g( = g(perpendicular to) - g(parallel to)) and the sign of distortion (elongated or compressed) of ligand octahedron and the causes of the mistakes of octahedron distortion for Rb2MgF4:Co2+ in the previous papers are discussed. (C) 2000 Elsevier Science B.V. All rights reserved.
部门归属
sichuan univ, dept mat sci, chengdu 610064, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china
W. C. Zheng,S. Y. Wu. g Factors and the tetragonal distortion of ligand octahedron for Co2+ in Rb2MgF4 crystal[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2000,56(11):2061-2066.
APA
W. C. Zheng,&S. Y. Wu.(2000).g Factors and the tetragonal distortion of ligand octahedron for Co2+ in Rb2MgF4 crystal.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,56(11),2061-2066.
MLA
W. C. Zheng,et al."g Factors and the tetragonal distortion of ligand octahedron for Co2+ in Rb2MgF4 crystal".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 56.11(2000):2061-2066.
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