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Theoretical investigations of the spin Hamiltonian parameters for the tetragonal Rh(CN)(4)Cl-2 (4-) complex in KCl
B. T. Song; S. Y. Wu; M. Q. Kuang; Y. X. Hu
2013
Source PublicationOptik
ISSN0030-4026
Volume124Issue:23Pages:6186-6189
AbstractThe spin Hamiltonian parameters (g factors, hyperfine structure constants and superhyperfine parameters) for the tetragonal [Rh(CN)(4)Cl-2](4-) complex in KG are theoretically investigated from the perturbation formulas of these parameters for a 4d(7) ion in a tetragonally elongated octahedron. This center can be assigned to the substitutional Rh2+ on host K+ site reduced from Rh3+ by capturing one electron during the electron irradiation, associated with the two axial ligands CN- replaced by two Cl-. The crystal-fields of the two axial Cl- are weaker than those of the four planar CN-, yielding the tetragonal elongation distortion. This system belongs to the case of low spin (S = 1/2) under strong crystal-fields, different from that of high spin (S = 3/2) under weak and intermediate crystal-fields (e.g., 3d(7) ions such as Fe+ and Co2+ in conventional chlorides). The calculated spin Hamiltonian parameters show good agreement with the experimental data. The above [Rh(CN)(4)Cl-2](4-) complex due to the different axial and perpendicular ligands is unlike the tetragonally elongated [RhCl6](4-) complex due to the Jahn-Teller effect in the similar NaCl:Rh2+ crystals. (C) 2013 Published by Elsevier GmbH.
description.department[song, bo-tao ; wu, shao-yi ; kuang, min-quan ; hu, yue-xia] univ elect sci & technol china, sch phys elect, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. ; song, bt (reprint author), univ elect sci & technol china, sch phys elect, chengdu 610054, peoples r china. ; btsong@126.com
KeywordCrystal-fields And Spin Hamiltonians Electron Paramagnetic Resonance Rh2++ Kcl Electron-paramagnetic-resonance Atomic Screening Constants Transition-metal Ions Superposition Model Scf Functions Crystals Chloride Spectra Cobalt Ni2++
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Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/72429
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
B. T. Song,S. Y. Wu,M. Q. Kuang,et al. Theoretical investigations of the spin Hamiltonian parameters for the tetragonal Rh(CN)(4)Cl-2 (4-) complex in KCl[J]. Optik,2013,124(23):6186-6189.
APA B. T. Song,S. Y. Wu,M. Q. Kuang,&Y. X. Hu.(2013).Theoretical investigations of the spin Hamiltonian parameters for the tetragonal Rh(CN)(4)Cl-2 (4-) complex in KCl.Optik,124(23),6186-6189.
MLA B. T. Song,et al."Theoretical investigations of the spin Hamiltonian parameters for the tetragonal Rh(CN)(4)Cl-2 (4-) complex in KCl".Optik 124.23(2013):6186-6189.
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