Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl6)(4-) coordination complex in MCl:V2+ (M=Na, K, Rb) systems

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	Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl6)(4-) coordination complex in MCl:V2+ (M=Na, K, Rb) systems
	Qi Lin 1; Kuang Xiao-Yu 1,2; Chai Rui-Peng 1; Duan Mei-Ling 1; Zhang Cai-Xia 1
通讯作者	Qi Lin()
	2009-04-01
发表期刊	CHINESE PHYSICS B
ISSN	1674-1056
卷号	18 期号:4 页码:1586-1593
摘要	By simulating the electron paramagnetic resonance (EPR) and optical spectra on the basis of the 120x120 complete energy matrix, this paper determines the local lattice structure parameters R-1 and R-2 for MCl:V2+ (M=Na, K, Rb) systems at 77 K, 195 K and RT (room temperature 295 K or 302 K), respectively. The theoretical results indicate that there exists a compressed distortion in MCl:V2+ systems. Meanwhile, it finds that the structure parameters R-1, R-2 and vertical bar Delta R vertical bar (= R-1 - R-2) increase with the rising temperature. Subsequently, from the analysis it concludes that the relation of EPR parameter D vs. Delta R is approximately linear. Finally, the effects of orbital reduction factor k on the g factors for the three systems have been discussed.
关键词	complete energy matrix EPR parameters (VCl6)(4-) coordination complex local structure
资助者	National Natural Science Foundation of China ; Doctoral Education Fund of the Education Ministry of China
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[10774103] ; Doctoral Education Fund of the Education Ministry of China[20050610011]
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000264290900049
出版者	IOP PUBLISHING LTD
引用统计	被引频次：6[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/321006/99541
专题	中国科学院金属研究所
通讯作者	Qi Lin
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Acad Sinica, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Qi Lin,Kuang Xiao-Yu,Chai Rui-Peng,et al. Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl6)(4-) coordination complex in MCl:V2+ (M=Na, K, Rb) systems[J]. CHINESE PHYSICS B,2009,18(4):1586-1593.
APA	Qi Lin,Kuang Xiao-Yu,Chai Rui-Peng,Duan Mei-Ling,&Zhang Cai-Xia.(2009).Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl6)(4-) coordination complex in MCl:V2+ (M=Na, K, Rb) systems.CHINESE PHYSICS B,18(4),1586-1593.
MLA	Qi Lin,et al."Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl6)(4-) coordination complex in MCl:V2+ (M=Na, K, Rb) systems".CHINESE PHYSICS B 18.4(2009):1586-1593.