Study of antiferromagnetic phenomenon for oxo-bridged iron (III) dimers in model molecules of methemerythrin

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	Study of antiferromagnetic phenomenon for oxo-bridged iron (III) dimers in model molecules of methemerythrin
	X. Y. Kuang; Q. Q. Gou; K. W. Zhou
	2003
发表期刊	Journal of Physics and Chemistry of Solids
ISSN	0022-3697
卷号	64 期号:3 页码:465-470
摘要	By introducing the covalent effect into the Girerd-Journaux-Kahn's magnetic theory a more general magnetic exchange formula for describing transition-metal ion pairs in covalent complex molecules has been established. By this formula and by the use of our double-slater-type-function (DSF) calculation procedure the relationship between the magnetic exchange coupling parameter J and the covalent factor N has been studied. It is shown that for the oxo-bridged Fe(III) dimer there exists a nearly linear relation between J and N, and that the stronger is the covalent effect the stronger is the antiferromagnetic coupling interaction. It is also shown that in a series of model molecules of methemerythrin derivatives, such as in (FeSalen)(2)O.2py, FeSalenCl.(CH3NO2)(x), enH(2)[(FeHEDTA)(2)O].6H(2)O, Na-4[(FeHEDTA)(2)O].12H(2)O, [(Fe(terpy))(2)O](NO3)(4).H2O and Fe(terpy)Cl-3, there are about 40% antiferromagnetic contributions that arise from the covalent effect, and that the theoretical values J = - 95.5 to - 100.7 cm(-1) are in good agreement with the experimental findings J = - 90 to - 105 cm(-1) for those model molecules. (C) 2002 Elsevier Science Ltd. 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. sichuan univ, dept phys, chengdu 610065, peoples r china. ccast, world lab, beijing 100080, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china
关键词	Exchange Interaction Antiferromagnetism Exchange Interaction Complexes Transitions Angle Mn2++ Ions Unit
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WOS记录号	WOS:000180580700014
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35874
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. Y. Kuang,Q. Q. Gou,K. W. Zhou. Study of antiferromagnetic phenomenon for oxo-bridged iron (III) dimers in model molecules of methemerythrin[J]. Journal of Physics and Chemistry of Solids,2003,64(3):465-470.
APA	X. Y. Kuang,Q. Q. Gou,&K. W. Zhou.(2003).Study of antiferromagnetic phenomenon for oxo-bridged iron (III) dimers in model molecules of methemerythrin.Journal of Physics and Chemistry of Solids,64(3),465-470.
MLA	X. Y. Kuang,et al."Study of antiferromagnetic phenomenon for oxo-bridged iron (III) dimers in model molecules of methemerythrin".Journal of Physics and Chemistry of Solids 64.3(2003):465-470.