Theory of antiferromagnetic exchange interaction for mixed-valent (FeFeII)-Fe-III spin cluster in model complex of semimethemerythrin | |
Kuang, XY; Zhou, KW | |
通讯作者 | Kuang, XY(zkwxx@263.net) |
2004-05-01 | |
发表期刊 | JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
![]() |
ISSN | 0022-3697 |
卷号 | 65期号:5页码:949-955 |
摘要 | The antiferromagnetic phenomena of both mixed valent (FeFeII)-Fe-III spin clusters and homodinuclear (FeFeIII)-Fe-III clusters in complexes have been studied by means of our covalent magnetic exchange theoretical method. The sensitive relations between the exchange parameter J and the covalent factors N-A (for Fe-III) and N-B (for Fe-II) and the Fe...Fe separation R have been derived by use of our double-Slater function calculation procedure, the corresponding theoretical curve of J vs. NA, NB and R has been obtained. By taking the typical covalent factors of Fe-III and Fe-II, and using the observed Fe-O bond lengths: R-1 = 1.99 Angstrom, R-2 = 2.069 Angstrom for Fe-III-O-Fe-II cluster in model complex {[Fe(acacen)](2)ONa](2); R-1 = 1.79 Angstrom, R-2 = 1.88 Angstrom for Fe-III-O-Fe-III cluster in oxyhemerythrin, we obtained the theoretical values: -J(theore.) = 25.7 - 28.6 cm(-1) for Fe-III-O-Fe-II cluster and _J(theore.) = 75.4 - 81.8 cm(-1) for Fe-III-O-Fe-III cluster. These are in good agreement with the corresponding experimental findings -J(expt)=30cm(-1) in {[Fe(acacen)](2)ONa}(2) and -J(expt)=77cm(-1) in oxyhemerythrin, respectively. (C) 2003 Elsevier Ltd. All rights reserved. |
DOI | 10.1016/j.jpcs.2003.10.069 |
收录类别 | SCI |
语种 | 英语 |
WOS研究方向 | Chemistry ; Physics |
WOS类目 | Chemistry, Multidisciplinary ; Physics, Condensed Matter |
WOS记录号 | WOS:000220412100016 |
出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.imr.ac.cn/handle/321006/82163 |
通讯作者 | Kuang, XY |
作者单位 | 1.Sichuan Univ, Inst Atom & Mol Phys, Dept Phys, Chengdu 610065, Peoples R China 2.Acad Sinica, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 3.CCAST, World Lab, Beijing 100080, Peoples R China |
推荐引用方式 GB/T 7714 | Kuang, XY,Zhou, KW. Theory of antiferromagnetic exchange interaction for mixed-valent (FeFeII)-Fe-III spin cluster in model complex of semimethemerythrin[J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS,2004,65(5):949-955. |
APA | Kuang, XY,&Zhou, KW.(2004).Theory of antiferromagnetic exchange interaction for mixed-valent (FeFeII)-Fe-III spin cluster in model complex of semimethemerythrin.JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS,65(5),949-955. |
MLA | Kuang, XY,et al."Theory of antiferromagnetic exchange interaction for mixed-valent (FeFeII)-Fe-III spin cluster in model complex of semimethemerythrin".JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 65.5(2004):949-955. |
条目包含的文件 | 条目无相关文件。 |
个性服务 |
推荐该条目 |
保存到收藏夹 |
查看访问统计 |
导出为Endnote文件 |
谷歌学术 |
谷歌学术中相似的文章 |
[Kuang, XY]的文章 |
[Zhou, KW]的文章 |
百度学术 |
百度学术中相似的文章 |
[Kuang, XY]的文章 |
[Zhou, KW]的文章 |
必应学术 |
必应学术中相似的文章 |
[Kuang, XY]的文章 |
[Zhou, KW]的文章 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论