Magnetic theory for Mn-III-O-Mn-III spin-cluster in oxo-bridged covalent complex Mn2O(5-NO(2)saldien)(2)
文献类型：期刊论文
| 作者 | Kuang, XY; Zhou, KW |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2002-05-31 |
| 卷号 | 358期号:3-4页码:207-212 |
| ISSN号 | 0009-2614 |
| 通讯作者 | Kuang, XY() |
| 英文摘要 | A theoretical method for describing magnetic-exchange-interact ions in covalent molecular systems is established by introducing covalent effect into Girerd-Journaux-Kahn's (GJK) magnetic formula and adopting our Double-Slater-Function (DSF) calculation method. The calculations show that the exchange coupling parameter J depends sensitively on the covalent factor N: the stronger the covalent effect the stronger the antiferromagnetic exchange interaction; the direct- and kinetic- exchange interactions are both important. The calculation for Mn-III-O-Mn-III spin-clusters in Mn2O(5-NO(2)saldien)(2) reveals that about 30% of the antiferromagnetic contribution comes from covalent effect, and that the theoretical values J = -111.02 to - 138.85 cm(-1) agree well with the experimental findings (J((expt.)) = -120 cm(-1)). (C) 2002 Elsevier Science B.V. All rights reserved. |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000176417500006 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.imr.ac.cn/handle/321006/114317]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Kuang, XY |
| 作者单位 | 1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Acad Sinica, Int Ctr Mat Phys, Chengdu 610065, Peoples R China 3.Sichuan Univ, Dept Phys, Chengdu 610065, Peoples R China 4.CCAST, World Lab, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Kuang, XY,Zhou, KW. Magnetic theory for Mn-III-O-Mn-III spin-cluster in oxo-bridged covalent complex Mn2O(5-NO(2)saldien)(2)[J]. CHEMICAL PHYSICS LETTERS,2002,358(3-4):207-212. |
| APA | Kuang, XY,&Zhou, KW.(2002).Magnetic theory for Mn-III-O-Mn-III spin-cluster in oxo-bridged covalent complex Mn2O(5-NO(2)saldien)(2).CHEMICAL PHYSICS LETTERS,358(3-4),207-212. |
| MLA | Kuang, XY,et al."Magnetic theory for Mn-III-O-Mn-III spin-cluster in oxo-bridged covalent complex Mn2O(5-NO(2)saldien)(2)".CHEMICAL PHYSICS LETTERS 358.3-4(2002):207-212. |
入库方式： OAI收割
来源：金属研究所
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