Theory of covalent heterodinuclear magnetic exchange interaction and its application to (MnFeIII)-Fe-III and (FeFeII)-Fe-II spin clusters in complex molecules
文献类型：期刊论文
| 作者 | X. Y. Kuang ; K. W. Zhou |
| 刊名 | Chemical Physics Letters
 |
| 出版日期 | 2002 |
| 卷号 | 365期号:1-2页码:122-128 |
| 关键词 | lactobacillus-plantarum active-site core deoxyhemerythrin manganese |
| ISSN号 | 0009-2614 |
| 中文摘要 | 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. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/36304]  |
| 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 | 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. |
入库方式： OAI收割
来源：金属研究所
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