Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals

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	Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals
	Z. Wen-Chen; W. Xiao-Xuan; Z. Qin; M. Yang
	2005
发表期刊	Chemical Physics Letters
ISSN	0009-2614
卷号	406 期号:1-3 页码:192-196
摘要	The complete high-order perturbation formulas of EPR parameters (g-shifts Delta g(parallel to),Delta g(perpendicular to) and zero-field splitting D), including not only the crystal-field (CF) mechanism, but also the charge-transfer (CT) mechanism (which is neglected in crystal-field theory), are established by a cluster approach for 3d(2) ions in trigonal symmetry. From these formulas, the EPR parameters of Y2SiO4:Cr4+, Ba-3(VO4)(2):Mn5+ and K2CrO4:Fe6+ are calculated. The results are in reasonable agreement with the observed values. It is found that the relative importance of CT mechanism increases with increasing atomic number of 3d(2) ion and so in the studies of EPR parameters for high valence state 3d" ions in crystals, both CF and CT mechanisms should be taken in account. (c) 2005 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. civil aviat flying inst china, dept phys, guangzhou 618307, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. fudan univ, natl key lab, surface phys lab, shanghai 200433, peoples r china.;wen-chen, z (reprint author), sichuan univ, dept mat sci, number 29,wangjiang rd, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Transition-metal-complexes Atomic Screening Constants Tetrahedral Mn5++ Oxo Coordination Scf Functions Ions Spin Spectroscopy Laser Field
URL	查看原文
WOS记录号	WOS:000228612200032
引用统计	被引频次：17[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/321006/35108
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. Wen-Chen,W. Xiao-Xuan,Z. Qin,et al. Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals[J]. Chemical Physics Letters,2005,406(1-3):192-196.
APA	Z. Wen-Chen,W. Xiao-Xuan,Z. Qin,&M. Yang.(2005).Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals.Chemical Physics Letters,406(1-3),192-196.
MLA	Z. Wen-Chen,et al."Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals".Chemical Physics Letters 406.1-3(2005):192-196.