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

CORC > 金属研究所 > 中国科学院金属研究所

	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
刊名	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
	2010
卷号	75 期号:4 页码:1280-1282
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
ISSN号	1386-1425
中文摘要	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.
原文出处	://WOS:000276590700017
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/31100]
专题	金属研究所_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.