Orbital-Dependent Magnetic Properties of Molecular Cluster Containing High-Spin Co(II) Ions
文献类型：期刊论文
| 作者 | Wang, Fan; Zhao, Fei; Wang, Bing-Wu; Wang, Ming-Wei; Zhang, Yuan-Zhu; Wang, Wei; Gao, Song; Chen, Zhi-Da |
| 刊名 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
 |
| 出版日期 | 2009-11-15 |
| 卷号 | 109期号:14页码:3368-3378 |
| 关键词 | Irreducible Tensor Operator Approach Molecular Magnetism Orbital Degeneracy Magnetic Molecular Clusters High-spin Co(Ii) Ion |
| ISSN号 | 0020-7608 |
| DOI | 10.1002/qua.22137 |
| 英文摘要 | To shed light on magnetic properties of the magnetic exchange molecular cluster containing the constituent metal ion with unquenched orbital angular momentum, as representative examples two octahedrally coordinated high-spin Co(II)-cluster complexes were synthesized and characterized: complex (1) [Co(3)(Hbzp)(6)] [ClO4]2 center dot 2CH(3)OH center dot H(2)O (bzp = 2-benzoylpyridine) with a linear core Co(III)-Co(II)-Co(III) and complex (2) [Co(4)L(N(3))(4)(CH(3)CN)(4)](ClO(4))(4)center dot 2H(2)O (L = Macrocyclic schiff base of tetra-2,6-pyridinedicarboxaldehyde-tetra-ethane-1,2-diamine) comprised by two nearly independent Co(II)-dimers. Following Lines' isotropic exchange approximation the magnetic interaction effective Hamiltonian was introduced, which includes the exchange interactions, the spin-orbit coupling, the low-symmetry crystal field, and the intercluster exchange interaction. On the basis of the irreducible tensor operator approach to solve Hamiltonian we have coded the software, BJMAG package, and performed the best-fit procedure for experimentally temperature variable magnetic susceptibilities for the complexes (1) and (2). The best-fit parameters were obtained as follows: lambda = -126 cm(-1), Delta = 432 cm(-1), kappa = 0.96, mJ' = 2.7 cm(-1) for the complex (1) and lambda = -165 cm(-1), Delta = 960 cm(-1), kappa = 0.95, J' = 9 cm(-1), mJ' = -0.1 cm(-1) for the complex (2). To further elucidate the individual role of each interaction in the employed model, the effects of the key factors governing the magnetic properties on temperature variable magnetic susceptibilities were examined in detail. The significance of the intercluster exchange interactions at low temperatures was briefly discussed and a self-consistent molecular field to calculate the thermally average spin of the nearest neighbor in the intercluster interaction was proposed. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 3368-3378, 2009 |
| 语种 | 英语 |
| WOS记录号 | WOS:000270884200018 |
| 出版者 | JOHN WILEY & SONS INC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/65857]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Chen, Zhi-Da |
| 作者单位 | Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Fan,Zhao, Fei,Wang, Bing-Wu,et al. Orbital-Dependent Magnetic Properties of Molecular Cluster Containing High-Spin Co(II) Ions[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2009,109(14):3368-3378. |
| APA | Wang, Fan.,Zhao, Fei.,Wang, Bing-Wu.,Wang, Ming-Wei.,Zhang, Yuan-Zhu.,...&Chen, Zhi-Da.(2009).Orbital-Dependent Magnetic Properties of Molecular Cluster Containing High-Spin Co(II) Ions.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,109(14),3368-3378. |
| MLA | Wang, Fan,et al."Orbital-Dependent Magnetic Properties of Molecular Cluster Containing High-Spin Co(II) Ions".INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109.14(2009):3368-3378. |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
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。