Spin-Hamiltonian parameters and local lattice structure for Pd(I) center in gamma-irradiated bis(acetylacetonato)palladium(II)

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	Spin-Hamiltonian parameters and local lattice structure for Pd(I) center in gamma-irradiated bis(acetylacetonato)palladium(II)
	W. L. Feng; T. X. Zeng; T. H. Chen; J. J. Chen
	2010
发表期刊	Crystal Research and Technology
ISSN	0232-1300
卷号	45 期号:1 页码:75-78
摘要	This paper reports on a theoretical analysis of spin-Hamiltonian parameters and local lattice structure for Pd(I) center in gamma-irradiated Pd(II)(acac)(2). Through the crystal- and ligand-field theory, the microscopic spin-Hamiltonian parameters and local molecular structure for Pd(I) center in the gamma-irradiated Pd(II)(acac)2 System have been studied by using the high-order perturbation formulas and Newman's superposition model. Based on these calculations, it was found that the distance of the metal-ligand bonds in the square planar complex for Pd(I) center in the gamma-irradiated Pd(II)(acac)(2) system increases by 0.1 angstrom. To understand the detailed physical and chemical properties of the [Pd(I)(acac)(2)](2-) complex, the contributions of the spin-orbit coupling of ligand to spin-Hamiltonian parameters for Pd(I) ion are considered. The theoretical results are in reasonable agreement with the experimental values. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
部门归属	[feng, w. l.] chongqing univ technol, dept appl phys, chongqing 400054, peoples r china. [zeng, t. x.; chen, t. h.; chen, j. j.] china w normal univ, dept phys & elect informat, nanchong 637002, peoples r china. [feng, w. l.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;feng, wl (reprint author), chongqing univ technol, dept appl phys, chongqing 400054, peoples r china;wenlinfeng@126.com
关键词	Crystal-field Ligand-field Spin-hamiltonian Parameters Local Lattice Structure Pd(i) Ion Atomic Screening Constants Scf Functions Crystal Resonance Ions
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WOS记录号	WOS:000274058500012
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/321006/31105
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. L. Feng,T. X. Zeng,T. H. Chen,et al. Spin-Hamiltonian parameters and local lattice structure for Pd(I) center in gamma-irradiated bis(acetylacetonato)palladium(II)[J]. Crystal Research and Technology,2010,45(1):75-78.
APA	W. L. Feng,T. X. Zeng,T. H. Chen,&J. J. Chen.(2010).Spin-Hamiltonian parameters and local lattice structure for Pd(I) center in gamma-irradiated bis(acetylacetonato)palladium(II).Crystal Research and Technology,45(1),75-78.
MLA	W. L. Feng,et al."Spin-Hamiltonian parameters and local lattice structure for Pd(I) center in gamma-irradiated bis(acetylacetonato)palladium(II)".Crystal Research and Technology 45.1(2010):75-78.