ICCAS OpenIR
Orbital-Dependent Magnetic Properties of Molecular Cluster Containing High-Spin Co(II) Ions
Wang, Fan; Zhao, Fei; Wang, Bing-Wu; Wang, Ming-Wei; Zhang, Yuan-Zhu; Wang, Wei; Gao, Song; Chen, Zhi-Da
2009-11-15
Source PublicationINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN0020-7608
Volume109Issue:14Pages:3368-3378
AbstractTo 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
KeywordIrreducible Tensor Operator Approach Molecular Magnetism Orbital Degeneracy Magnetic Molecular Clusters High-spin Co(Ii) Ion
DOI10.1002/qua.22137
Indexed BySCI ; ISTP
Language英语
WOS IDWOS:000270884200018
PublisherJOHN WILEY & SONS INC
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/65858
Collection中国科学院化学研究所
Corresponding AuthorChen, Zhi-Da
AffiliationPeking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China
Recommended Citation
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.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Wang, Fan]'s Articles
[Zhao, Fei]'s Articles
[Wang, Bing-Wu]'s Articles
Baidu academic
Similar articles in Baidu academic
[Wang, Fan]'s Articles
[Zhao, Fei]'s Articles
[Wang, Bing-Wu]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Wang, Fan]'s Articles
[Zhao, Fei]'s Articles
[Wang, Bing-Wu]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.