Theoretical study of the superhyperfine parameters for Cu(2+) in K(2)PdX(4) (X = Cl, Br)

IMR OpenIR

	Theoretical study of the superhyperfine parameters for Cu(2+) in K(2)PdX(4) (X = Cl, Br); Theoretical study of the superhyperfine parameters for Cu(2+) in K(2)PdX(4) (X = Cl, Br)
	L. H. Wei; S. Y. Wu; Z. H. Zhang; X. F. Wang; Y. X. Hu
	2008 ; 2008
发表期刊	Hyperfine Interactions ; Hyperfine Interactions
ISSN	0304-3843 ; 0304-3843
卷号	181 期号:1-3 页码:169-177
摘要	The superhyperfine parameters T(j) (j = x, y, z) for Cu(2+) in the square-planar K(2)PdX(4) (X = Cl, Br) are theoretically studied from the perturbation formulas of these parameters for an octahedral 3d(9) cluster, by considering both the contributions from the crystal-field and charge-transfer mechanisms. The related molecular orbital coefficients are determined from the cluster approach in a uniform way. Based on one adjustable proportional factor rho for the orbital admixture coefficients, the calculated results of present work show reasonable agreement with the observed values.; The superhyperfine parameters T(j) (j = x, y, z) for Cu(2+) in the square-planar K(2)PdX(4) (X = Cl, Br) are theoretically studied from the perturbation formulas of these parameters for an octahedral 3d(9) cluster, by considering both the contributions from the crystal-field and charge-transfer mechanisms. The related molecular orbital coefficients are determined from the cluster approach in a uniform way. Based on one adjustable proportional factor rho for the orbital admixture coefficients, the calculated results of present work show reasonable agreement with the observed values.
部门归属	[wei, l. h.; wu, s. y.; zhang, z. h.; wang, x. f.; hu, y. x.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, s. y.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi_wu@163.com ; [wei, l. h.; wu, s. y.; zhang, z. h.; wang, x. f.; hu, y. x.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, s. y.] chinese acad sci, int ctr mat phys, shenyang 110015, 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	Electron Paramagnetic Resonance (Epr) k(2)Pdx(4) (x = Cl Electron Paramagnetic Resonance (Epr) k(2)Pdx(4) (x = Cl Superhyperfine Interactions Br) Superhyperfine Interactions Br) Cu(2+) Cu(2+) Atomic Screening Constants Atomic Screening Constants Square-planar Square-planar Angular Distortions Angular Distortions Liquid-membrane Liquid-membrane Scf Functions Scf Functions Absorption Absorption K2pdcl4 K2pdcl4 Spectra Spectra Complexes Complexes Carrier Carrier
URL	查看原文 ; 查看原文
WOS记录号	WOS:000260281100024 ; WOS:000260281100024
引用统计	被引频次：13[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/321006/33185
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. H. Wei,S. Y. Wu,Z. H. Zhang,et al. Theoretical study of the superhyperfine parameters for Cu(2+) in K(2)PdX(4) (X = Cl, Br), Theoretical study of the superhyperfine parameters for Cu(2+) in K(2)PdX(4) (X = Cl, Br)[J]. Hyperfine Interactions, Hyperfine Interactions,2008, 2008,181, 181(1-3):169-177, 169-177.
APA	L. H. Wei,S. Y. Wu,Z. H. Zhang,X. F. Wang,&Y. X. Hu.(2008).Theoretical study of the superhyperfine parameters for Cu(2+) in K(2)PdX(4) (X = Cl, Br).Hyperfine Interactions,181(1-3),169-177.
MLA	L. H. Wei,et al."Theoretical study of the superhyperfine parameters for Cu(2+) in K(2)PdX(4) (X = Cl, Br)".Hyperfine Interactions 181.1-3(2008):169-177.