Studies of EPR theory and trigonal distortion of the Cr(H2O)(6) (3+) cluster in ferroelectric guanidinium aluminum sulfate hexahydrate (GASH): Cr3+ system at different temperatures

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	Studies of EPR theory and trigonal distortion of the Cr(H2O)(6) (3+) cluster in ferroelectric guanidinium aluminum sulfate hexahydrate (GASH): Cr3+ system at different temperatures
	L. L. Pan; X. Y. Kuang; A. J. Mao; H. Wang; J. L. Huang
	2007
发表期刊	Chemical Physics Letters
ISSN	0009-2614
卷号	442 期号:4-6 页码:468-473
摘要	For a d(3) configuration ion, a theoretical method for studying the inter-relationships between electronic and molecular structure is investigated by diagonalizing the 120 x 120 complete energy matrices. The theoretical results show the following: (i) the local distortion structure for the Cr3+ occupying the Al3+ sites I and II exhibits an expansion distortion and the EPR parameters (D,g parallel to,g perpendicular to) are in good agreement with the experimental results at different temperatures. (ii) The vertical bar D vertical bar values decrease with the increasing temperature. (iii) The sign of the zero-field splitting parameter D is negative for the two trigonal Cr 3+ centers I and II in guanidinium aluminum sulfate hexahydrate (GASH) at 295.5, 78.45 and 1.61 K. (c) 2007 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;panlei225@163.com scu_kxy@163.com
关键词	Electron-paramagnetic Resonance Optical Spectroscopy Force Microscopy Spin Resonance Parameters Crystal Field Ions Spectra Ruby
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33771
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. L. Pan,X. Y. Kuang,A. J. Mao,et al. Studies of EPR theory and trigonal distortion of the Cr(H2O)(6) (3+) cluster in ferroelectric guanidinium aluminum sulfate hexahydrate (GASH): Cr3+ system at different temperatures[J]. Chemical Physics Letters,2007,442(4-6):468-473.
APA	L. L. Pan,X. Y. Kuang,A. J. Mao,H. Wang,&J. L. Huang.(2007).Studies of EPR theory and trigonal distortion of the Cr(H2O)(6) (3+) cluster in ferroelectric guanidinium aluminum sulfate hexahydrate (GASH): Cr3+ system at different temperatures.Chemical Physics Letters,442(4-6),468-473.
MLA	L. L. Pan,et al."Studies of EPR theory and trigonal distortion of the Cr(H2O)(6) (3+) cluster in ferroelectric guanidinium aluminum sulfate hexahydrate (GASH): Cr3+ system at different temperatures".Chemical Physics Letters 442.4-6(2007):468-473.