Theory of covalent heterodinuclear magnetic exchange interaction and its application to (MnFeIII)-Fe-III and (FeFeII)-Fe-II spin clusters in complex molecules

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	Theory of covalent heterodinuclear magnetic exchange interaction and its application to (MnFeIII)-Fe-III and (FeFeII)-Fe-II spin clusters in complex molecules
	X. Y. Kuang; K. W. Zhou
	2002
发表期刊	Chemical Physics Letters
ISSN	0009-2614
卷号	365 期号:1-2 页码:122-128
摘要	A covalent heterodinuclear magnetic exchange interaction formula has been established and the antiferromagnetic coupling phenomena of both heterodinuclear (MnFeIII)-Fe-III and homodinuclear (FeFeII)-Fe-II, spin-clusters in complex molecules have been studied. It is demonstrated that the antiferromagnetic phenomenon of transition-metal ion-pairs in molecules should be attributed to the combined effect of the direct-exchange interaction, the kinetic exchange interaction and the covalent effect; the strong antiferromagnetic characteristic of (MnFeIII)-Fe-III cluster in [L'Mn-III (mu-O)(mu-CH3CO2)(2)Fe-III L'] is mainly due to the d(xz)-d(xz) and d(yz)-d(yz) orbital exchange interactions, while the weak antiferromagnetic coupling in deoxyhemerythrin should be attributed to a mu-(OH-FeFeII)-Fe-II cluster with a long Fe-O bond length in its active site. The theoretical results agree well with the experimental findings. (C) 2002 Published by Elsevier Science B.V.
部门归属	sichuan univ, dept phys, inst atom & mol phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china. ccast, world lab, beijing 100080, peoples r china.;kuang, xy (reprint author), sichuan univ, dept phys, inst atom & mol phys, chengdu 610065, peoples r china
关键词	Lactobacillus-plantarum Active-site Core Deoxyhemerythrin Manganese
URL	查看原文
WOS记录号	WOS:000178835800018
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/36304
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. Y. Kuang,K. W. Zhou. Theory of covalent heterodinuclear magnetic exchange interaction and its application to (MnFeIII)-Fe-III and (FeFeII)-Fe-II spin clusters in complex molecules[J]. Chemical Physics Letters,2002,365(1-2):122-128.
APA	X. Y. Kuang,&K. W. Zhou.(2002).Theory of covalent heterodinuclear magnetic exchange interaction and its application to (MnFeIII)-Fe-III and (FeFeII)-Fe-II spin clusters in complex molecules.Chemical Physics Letters,365(1-2),122-128.
MLA	X. Y. Kuang,et al."Theory of covalent heterodinuclear magnetic exchange interaction and its application to (MnFeIII)-Fe-III and (FeFeII)-Fe-II spin clusters in complex molecules".Chemical Physics Letters 365.1-2(2002):122-128.