Studies of the spin-Hamiltonian parameters and the Jahn-Teller distortions for tetragonal Cu(H(2)O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO(3))(12)center dot 24H(2)O (A = La, Bi) crystals

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	Studies of the spin-Hamiltonian parameters and the Jahn-Teller distortions for tetragonal Cu(H(2)O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO(3))(12)center dot 24H(2)O (A = La, Bi) crystals
	W. L. Feng; W. Q. Yang; W. C. Zheng
	2010
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	75 期号:4 页码:1280-1282
摘要	The anisotropic and isotropic spin-Hamiltonian parameters (g factors and hyperfine structure constants) of tetragonal Cu(H(2)O)(6)(2+) clusters due, respectively, to the static and dynamic Jahn-Teller effects for Cu(2+) in trigonal A(2)Mg(3)(NO(3))(12)center dot 24H(2)O (A = La, Bi) crystals are calculated from the high-order perturbation formulas based on the cluster approach. In the approach, the admixture between the d orbitals of 3d(n) ion and the p orbitals of ligand ion via covalence effect is considered. All of the calculated results are in agreement with the experimental values. The tetragonal elongations (characterized by Delta R=R(parallel to)-R(perpendicular to)) of Cu(H(2)O)(6)(2+) cluster due to the Jahn-Teller effect in A(2)Mg(3)(NO(3))(12)center dot 24H(2)O crystals are acquired from the calculations. The results are discussed. (C) 2009 Elsevier B.V. All rights reserved.
部门归属	[feng, wen-lin] chongqing univ technol, dept appl phys, chongqing 400054, peoples r china. [yang, wei-qing; zheng, wen-chen] chengdu univ informat technol, dept opt & elect, chengdu 610225, peoples r china. [yang, wei-qing] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [feng, wen-lin; zheng, wen-chen] 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	Electron Paramagnetic Resonance (Epr) La Crystal- And ligAnd-field Theory Bi) Jahn-teller Effect Cu(2+) a(2)Mg(3)(No(3))(12)Center Dot 24h(2)o (a = Atomic Screening Constants Neutron-diffraction Single-crystals Scf Functions Field Copper Ions Epr Resonance Pressure
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31100
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. L. Feng,W. Q. Yang,W. C. Zheng. Studies of the spin-Hamiltonian parameters and the Jahn-Teller distortions for tetragonal Cu(H(2)O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO(3))(12)center dot 24H(2)O (A = La, Bi) crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2010,75(4):1280-1282.
APA	W. L. Feng,W. Q. Yang,&W. C. Zheng.(2010).Studies of the spin-Hamiltonian parameters and the Jahn-Teller distortions for tetragonal Cu(H(2)O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO(3))(12)center dot 24H(2)O (A = La, Bi) crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,75(4),1280-1282.
MLA	W. L. Feng,et al."Studies of the spin-Hamiltonian parameters and the Jahn-Teller distortions for tetragonal Cu(H(2)O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO(3))(12)center dot 24H(2)O (A = La, Bi) crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 75.4(2010):1280-1282.