Studies of the optical band positions and EPR g factors for Cu(H(2)O)(6)(2+) centers in Tutton salt crystals

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	Studies of the optical band positions and EPR g factors for Cu(H(2)O)(6)(2+) centers in Tutton salt crystals
	W. C. Zheng; D. T. Zhang; P. Su; H. G. Liu
	2011
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	81 期号:1 页码:548-551
摘要	The optical band positions and EPR g factors (i =x, y, z) of Cu(H(2)O)(6)(2+) clusters in pure Tutton salts M(2)Cu(SO(4))(2)center dot 6H(2)O (M= NH(4), Rb) are calculated from the complete diagonalization (of energy matrix) method based on the cluster approach. In the calculation, the superposition model with the structural data is used to obtain the crystal-field parameters. The calculated results are in reasonable agreement with the experimental values, suggesting that the complete diagonalization method and superposition model are effective in the studies of optical and EPR data. The g factors g(i) of Cu(H(2)O)(6)(2+) clusters in Cu(2+) doped isomorphous diamagnetic Tutton salts M(2)Zn(SO(4))(2)center dot 6H(2)O are also studied from the same method. It is found that the approximately tetragonally compressed Zn(H(2)O)(6)(2+) octahedra in the host crystals change to the approximately tetragonally elongated Cu(H(2)O)(6)(2+) octahedra in the impurity centers. The causes concerning the Jahn-Teller effect are discussed. It appears that in some cases the octahedral environment of an impurity M(1) in crystals differs from that of the replaced host ion, but is close to the one in the isomorphous pure crystals where M(1) is the host ion rather than the impurity ion. (C) 2011 Elsevier B.V. All rights reserved.
部门归属	[zheng wen-chen; zhang dong-ting; su ping; liu hong-gang] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [zheng wen-chen] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Electron Paramagnetic Resonance Optical Spectrum Crystal- And Ligand-field Theory Tutton Salts Cu(2+) Atomic Screening Constants Gyromagnetic Factor Scf Functions Copper(Ii) Field Model Ions Spin
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30977
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,D. T. Zhang,P. Su,et al. Studies of the optical band positions and EPR g factors for Cu(H(2)O)(6)(2+) centers in Tutton salt crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2011,81(1):548-551.
APA	W. C. Zheng,D. T. Zhang,P. Su,&H. G. Liu.(2011).Studies of the optical band positions and EPR g factors for Cu(H(2)O)(6)(2+) centers in Tutton salt crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,81(1),548-551.
MLA	W. C. Zheng,et al."Studies of the optical band positions and EPR g factors for Cu(H(2)O)(6)(2+) centers in Tutton salt crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 81.1(2011):548-551.