Two chain complexes of (CH3)(2)NH2 M(N-3)(2)( HCOO) (M=Fe and Co) studied by first-principle electronic-structure calculation
文献类型：期刊论文
| 作者 | K. L. Yao ; Z. B. Li ; Z. L. Liu |
| 刊名 | Journal of Magnetism and Magnetic Materials
 |
| 出版日期 | 2008 |
| 卷号 | 320期号:3-4页码:222-226 |
| 关键词 | DFT electronic structure ferromagnetic properties ferromagnetic interaction weak ferromagnetism magnetic-properties azido copper(ii) compound behavior ligand |
| ISSN号 | 0304-8853 |
| 中文摘要 | The electronic structures of two ferromagnetic polynuclear complexes, where the anionic [M(N-3)(2)(HCOO)(-)](n) chains with a 3-fold bridge of two end-on ( EO) azido and one sys-syn formato ligands are isolated by the cations of [(CH3)(2)NH2](+), have been studied using the full-potential linearized augmented plane wave method based on the density functional theory ( DFT). The result shows that spin populations in these two complexes are mainly distributed on the octahedron by four nitrogen atoms and two oxygen atoms of two formats at apical sites that surround the metal ions (M=Fe and Co). There are large and positive spin populations on metal ions, small and positive spin populations on the oxygen and nitrogen atoms of the anionic [M(N-3)(2)(HCOO)(-)](n) chains. Ferromagnetic coupling through the two EO-azido bridges in these two complexes has been mainly attributed to the spin delocalization, also with weak spin polarization effect. (C) 2007 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33285]  |
| 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 | K. L. Yao,Z. B. Li,Z. L. Liu. Two chain complexes of (CH3)(2)NH2 M(N-3)(2)( HCOO) (M=Fe and Co) studied by first-principle electronic-structure calculation[J]. Journal of Magnetism and Magnetic Materials,2008,320(3-4):222-226. |
| APA | K. L. Yao,Z. B. Li,&Z. L. Liu.(2008).Two chain complexes of (CH3)(2)NH2 M(N-3)(2)( HCOO) (M=Fe and Co) studied by first-principle electronic-structure calculation.Journal of Magnetism and Magnetic Materials,320(3-4),222-226. |
| MLA | K. L. Yao,et al."Two chain complexes of (CH3)(2)NH2 M(N-3)(2)( HCOO) (M=Fe and Co) studied by first-principle electronic-structure calculation".Journal of Magnetism and Magnetic Materials 320.3-4(2008):222-226. |
入库方式： OAI收割
来源：金属研究所
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