Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5391109 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
A two-dimensional polynuclear complex [Ni(μ1,3-SCN)2(μ-mpyo)]n (where mpyo = 4-methylpyridine N-oxide) has been synthesized and its crystal structure determined by X-ray crystallography. In the complex there exist two kinds of bridging ligands, namely, μ1,3-SCNâ bridging ligand and μ-mpyo bridging ligand. The two kinds of bridging ligands coordinate to Ni(II) ions in alternate fashion and it led to the formation of a two-dimensional sheet. The density functional calculations have been carried out on the binuclear model complexes to analyze the magnetic coupling mechanisms. The variable temperature (4-300 K) magnetic measurements were performed and the experimental data were fitted by using a binuclear Ni(II) magnetic coupling formula. The magnetic coupling constants from calculations are J = â61.81 cmâ1 for μ-mpyo bridging ligand and J = â13.31 cmâ1 for μ1,3-SCNâ bridging ligand, and the experimental value is J = â36.22 cmâ1. In the area of magneto-structure theoretical calculation study this is the first paper that deals with the complexes with mixed bridging ligands.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jing-Min Shi, You-Min Sun, Zhe Liu, Lian-Dong Liu,