Investigations on the EPR Parameters for the Square Planar Cu2+ Centers in K2PdX4 (X = Cl, Br)

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	Investigations on the EPR Parameters for the Square Planar Cu2+ Centers in K2PdX4 (X = Cl, Br)
	Fu, Chuan-Ji 1; Wu, Shao-Yi 1,2; Hu, Yue-Xia 1; Wang, Xue-Feng 1; Wei, Wang-He 1
通讯作者	Wu, Shao-Yi(shaoyi_wu@163.com)
	2009-05-01
发表期刊	ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
ISSN	0932-0784
卷号	64 期号:5-6 页码:387-392
摘要	The EPR parameters g factors g(parallel to), g(perpendicular to) and the hyperfine structure constants A(parallel to) and A(perpendicular to) for the square planar Cu2+ centers in K2PdX4 (X = Cl, Br) are theoretically investigated from the perturbation formulas of these parameters for a 3d(9) ion under tetragonally elongated octahedra. In these formulas, not only the contributions from the conventional crystal-field (CF) mechanism, but also those from the charge-transfer (CT) mechanism are taken into account. The related molecular orbital coefficients are uniformly determined from the cluster approach, and the tetragonal field parameters Ds and Dt are obtained from the superposition model and the local structures of the systems. Based oil only one adjustable parameter, the present results are in reasonable agreement with the observed Values. Importance of the charge-transfer contributions is more significant for ligand Br than that for Cl due to the stronger covalency and much larger spin-orbit coupling coefficient of the former.
关键词	Crystal- and ligand fields Electron paramagnetic resonance (EPR) Cu2+ K2PdX4 (X = Cl, Br)
资助者	Academic Excellence of UESTC
收录类别	SCI
语种	英语
资助项目	Academic Excellence of UESTC
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Multidisciplinary
WOS记录号	WOS:000268540800013
出版者	VERLAG Z NATURFORSCH
引用统计	被引频次：3[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/321006/97425
专题	中国科学院金属研究所
通讯作者	Wu, Shao-Yi
作者单位	1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, 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	Fu, Chuan-Ji,Wu, Shao-Yi,Hu, Yue-Xia,et al. Investigations on the EPR Parameters for the Square Planar Cu2+ Centers in K2PdX4 (X = Cl, Br)[J]. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES,2009,64(5-6):387-392.
APA	Fu, Chuan-Ji,Wu, Shao-Yi,Hu, Yue-Xia,Wang, Xue-Feng,&Wei, Wang-He.(2009).Investigations on the EPR Parameters for the Square Planar Cu2+ Centers in K2PdX4 (X = Cl, Br).ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES,64(5-6),387-392.
MLA	Fu, Chuan-Ji,et al."Investigations on the EPR Parameters for the Square Planar Cu2+ Centers in K2PdX4 (X = Cl, Br)".ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES 64.5-6(2009):387-392.