Studies of the optical band positions and EPR g factors for Cu(H2O)(6)(2+) centers in Tutton salt crystals

doi:10.1016/j.saa.2011.06.049

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	Studies of the optical band positions and EPR g factors for Cu(H2O)(6)(2+) centers in Tutton salt crystals
	Zheng Wen-Chen 1,2; Zhang Dong-Ting 1; Su Ping 1; Liu Hong-Gang 1
通讯作者	Zheng Wen-Chen(zhengwc1@163.com)
	2011-10-15
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(H2O)(6)(2+) clusters in pure Tutton salts M2Cu(SO4)(2)center dot 6H(2)O (M= NH4, 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(H2O)(6)(2+) clusters in Cu2+ doped isomorphous diamagnetic Tutton salts M2Zn(SO4)(2)center dot 6H(2)O are also studied from the same method. It is found that the approximately tetragonally compressed Zn(H2O)(6)(2+) octahedra in the host crystals change to the approximately tetragonally elongated Cu(H2O)(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.
关键词	Electron paramagnetic resonance Optical spectrum Crystal- and ligand-field theory Tutton Salts Cu2+
DOI	10.1016/j.saa.2011.06.049
收录类别	SCI
语种	英语
WOS研究方向	Spectroscopy
WOS类目	Spectroscopy
WOS记录号	WOS:000296675000074
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：12[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/104152
专题	中国科学院金属研究所
通讯作者	Zheng Wen-Chen
作者单位	1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Zheng Wen-Chen,Zhang Dong-Ting,Su Ping,et al. Studies of the optical band positions and EPR g factors for Cu(H2O)(6)(2+) centers in Tutton salt crystals[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2011,81(1):548-551.
APA	Zheng Wen-Chen,Zhang Dong-Ting,Su Ping,&Liu Hong-Gang.(2011).Studies of the optical band positions and EPR g factors for Cu(H2O)(6)(2+) centers in Tutton salt crystals.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,81(1),548-551.
MLA	Zheng Wen-Chen,et al."Studies of the optical band positions and EPR g factors for Cu(H2O)(6)(2+) centers in Tutton salt crystals".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 81.1(2011):548-551.