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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-Chen1,2; Zhang Dong-Ting1; Su Ping1; Liu Hong-Gang1
Corresponding AuthorZheng Wen-Chen(zhengwc1@163.com)
2011-10-15
Source PublicationSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN1386-1425
Volume81Issue:1Pages:548-551
AbstractThe 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.
KeywordElectron paramagnetic resonance Optical spectrum Crystal- and ligand-field theory Tutton Salts Cu2+
DOI10.1016/j.saa.2011.06.049
Indexed BySCI
Language英语
WOS Research AreaSpectroscopy
WOS SubjectSpectroscopy
WOS IDWOS:000296675000074
PublisherPERGAMON-ELSEVIER SCIENCE LTD
Citation statistics
Cited Times:11[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/104152
Collection中国科学院金属研究所
Corresponding AuthorZheng Wen-Chen
Affiliation1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China
2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
Recommended Citation
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.
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