Magnetic property and theoretical study on a new one-dimensional coordination polymer [CO(mu,(1,3)-SCN)(mu-MPyO)(SCN)(CH3OH)]n with mixed bridging ligands

作者：Shi JM^*; Liu Z; Sun YM; Yi L; Liu LD

来源：Chemical Physics, 2006, 325(2): 237-242.

DOI：10.1016/j.chemphys.2005.12.027

• magnetism
• DFT calculations
• complexes

A new one-dimensional coordination polymer [CO(mu(1.3)-SCN)(mu-MPyO)(SCN)(CH3OH)](n) (where MPyO = 4-methylpyridine N-oxide) has been synthesized and its crystal structure determined by X-ray crystallography. In the complexes, there exist two kinds of bridging ligands, namely, mu(1.3)-SCN- bridging ligand and mu-MPyO bridging ligand. The two kinds of bridging ligands coordinate to the Co(II) ions with alternating way and which led to the formation of the one-dimensional chain. The density function calculations have been carried out on the complex to analyze the magnetic coupling mechanism. The calculations reveal that magnetic coupling values are J = -20.32 cm(-1) from MPyO bridged Co(II) ions and J = -0.87 cm(-1) from RI,3-SCN- bridged Co(II) ions. The fitting of the susceptibility data (4-300 K) was performed by using one-dimensional Co(II) coupling formula which gave the J = -7.19 cm(-1) and J'= -1.28 cm(-1).

• 出版日期2006-6-20
• 单位山东建筑大学; 山东师范大学; 南开大学