Studies of the spin-Hamiltonian parameters and the Jahn-Teller distortions for tetragonal Cu(H2O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO3)(12)center dot 24H(2)O (A = La, Bi) crystals

doi:10.1016/j.saa.2009.12.055

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(H2O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO3)(12)center dot 24H(2)O (A = La, Bi) crystals
	Feng, Wen-Lin 1,4; Yang, Wei-Qing 2,3; Zheng, Wen-Chen 2,4
刊名	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
	2010-04-01
卷号	75 期号:4 页码:1280-1282
关键词	Electron paramagnetic resonance (EPR) Crystal- and ligand-field theory Jahn-Teller effect Cu2+ A(2)Mg(3)(NO3)(12)center dot 24H(2)O (A = La, Bi)
ISSN号	1386-1425
DOI	10.1016/j.saa.2009.12.055
通讯作者	Feng, Wen-Lin(wenlinfeng@126.com)
英文摘要	The anisotropic and isotropic spin-Hamiltonian parameters (g factors and hyperfine structure constants) of tetragonal Cu(H2O)(6)(2+) clusters due, respectively, to the static and dynamic Jahn-Teller effects for Cu2+ in trigonal A(2)Mg(3)(NO3)(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(H2O)(6)(2+) cluster due to the Jahn-Teller effect in A(2)Mg(3)(NO3)(12)center dot 24H(2)O crystals are acquired from the calculations. The results are discussed. (C) 2009 Elsevier B.V. All rights reserved.
资助项目	Foundation of Chongqing University of Technology of China[20082Q12] ; Foundation of Chongqing University of Technology of China[2009ZD09] ; Term of Science and Technology of Chongqing Education Committee[KJ090608]
WOS研究方向	Spectroscopy
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000276590700017
资助机构	Foundation of Chongqing University of Technology of China ; Term of Science and Technology of Chongqing Education Committee
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/101365]
专题	金属研究所_中国科学院金属研究所
通讯作者	Feng, Wen-Lin
作者单位	1.Chongqing Univ Technol, Dept Appl Phys, Chongqing 400054, Peoples R China 2.Chengdu Univ Informat Technol, Dept Opt & Elect, Chengdu 610225, Peoples R China 3.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 4.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Feng, Wen-Lin,Yang, Wei-Qing,Zheng, Wen-Chen. Studies of the spin-Hamiltonian parameters and the Jahn-Teller distortions for tetragonal Cu(H2O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO3)(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	Feng, Wen-Lin,Yang, Wei-Qing,&Zheng, Wen-Chen.(2010).Studies of the spin-Hamiltonian parameters and the Jahn-Teller distortions for tetragonal Cu(H2O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO3)(12)center dot 24H(2)O (A = La, Bi) crystals.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,75(4),1280-1282.
MLA	Feng, Wen-Lin,et al."Studies of the spin-Hamiltonian parameters and the Jahn-Teller distortions for tetragonal Cu(H2O)(6)(2+) clusters in trigonal A(2)Mg(3)(NO3)(12)center dot 24H(2)O (A = La, Bi) crystals".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 75.4(2010):1280-1282.