Investigations on the EPR Parameters for the Square Planar Cu(2+) Centers in K(2)PdX(4) (X = Cl, Br)

IMR OpenIR

	Investigations on the EPR Parameters for the Square Planar Cu(2+) Centers in K(2)PdX(4) (X = Cl, Br)
	C. J. Fu; S. Y. Wu; Y. X. Hu; X. F. Wang; W. H. Wei
	2009
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 Cu(2+) centers in K(2)PdX(4) (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.
部门归属	[fu, chuan-ji; wu, shao-yi; hu, yue-xia; wang, xue-feng; wei, wang-he] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi_wu@163.com
关键词	Crystal- And ligAnd Fields k(2)Pdx(4) (x = Cl Electron Paramagnetic Resonance (Epr) Br) Cu(2+) Charge-transfer Transitions Atomic Screening Constants Liquid-membrane Scf Functions Crystal Complexes Spectra Resonance Cucl42 Model
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31905
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	C. J. Fu,S. Y. Wu,Y. X. Hu,et al. Investigations on the EPR Parameters for the Square Planar Cu(2+) Centers in K(2)PdX(4) (X = Cl, Br)[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2009,64(5-6):387-392.
APA	C. J. Fu,S. Y. Wu,Y. X. Hu,X. F. Wang,&W. H. Wei.(2009).Investigations on the EPR Parameters for the Square Planar Cu(2+) Centers in K(2)PdX(4) (X = Cl, Br).Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,64(5-6),387-392.
MLA	C. J. Fu,et al."Investigations on the EPR Parameters for the Square Planar Cu(2+) Centers in K(2)PdX(4) (X = Cl, Br)".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 64.5-6(2009):387-392.