Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal Cr(H(2)O)(6) (3+) complex in GASH:Cr(3+) and AlCl(3) center dot 6H(2)O:Cr(3+) systems at different temperatures

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	Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal Cr(H(2)O)(6) (3+) complex in GASH:Cr(3+) and AlCl(3) center dot 6H(2)O:Cr(3+) systems at different temperatures
	Y. F. Li; X. Y. Kuang; S. J. Wang; C. Lu; M. L. Duan
	2010
发表期刊	Physica Status Solidi B-Basic Solid State Physics
ISSN	0370-1972
卷号	247 期号:2 页码:422-429
摘要	The electron paramagnetic resonance (EPR) parameters and local structure of the octahedral [Cr(H(2)O)(6)](3+) complex for Cr(3+) doped in GASH and AlCl(3) center dot 6H(2)O crystals with trigonal symmetry have been studied on the basis of the 120 x 120 complete energy matrices, respectively. By simulating the EPR and optical spectra, the local structure distortion parameters are determined in the temperature range of 4.2-297 K. The calculated results show that the local structure of [Cr(H(2)O)(6)](3+) octahedron exhibits an elongated distortion and the value of distortion depends on the temperature. Furthermore, the interrelation between the g-factors and orbit-reduction factor k has been studied, and the influence of the local structure on the EPR parameters has also been discussed. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
部门归属	[li, yan-fang; kuang, xiao-yu; wang, su-juan; lu, cheng; duan, mei-ling] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kuang@163.com
关键词	Aluminum Sulfate Hexahydrate Field Splitting Parameter Force Microscopy Spin-resonance Reactive Dyes Epr-spectra Ions Crystal Cr3++ Adsorption
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31247
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. F. Li,X. Y. Kuang,S. J. Wang,et al. Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal Cr(H(2)O)(6) (3+) complex in GASH:Cr(3+) and AlCl(3) center dot 6H(2)O:Cr(3+) systems at different temperatures[J]. Physica Status Solidi B-Basic Solid State Physics,2010,247(2):422-429.
APA	Y. F. Li,X. Y. Kuang,S. J. Wang,C. Lu,&M. L. Duan.(2010).Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal Cr(H(2)O)(6) (3+) complex in GASH:Cr(3+) and AlCl(3) center dot 6H(2)O:Cr(3+) systems at different temperatures.Physica Status Solidi B-Basic Solid State Physics,247(2),422-429.
MLA	Y. F. Li,et al."Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal Cr(H(2)O)(6) (3+) complex in GASH:Cr(3+) and AlCl(3) center dot 6H(2)O:Cr(3+) systems at different temperatures".Physica Status Solidi B-Basic Solid State Physics 247.2(2010):422-429.