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Theoretical study on magnetic coupling interactions of the binuclear copper(II) complexes

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Title Theoretical study on magnetic coupling interactions of the binuclear copper(II) complexes
 
Creator Miao, Ti-fang
Li, Shuang
 
Description 695-698
The density functional theory (DFT) has been used to calculate magnetic coupling constants of binuclear copper(II) complexes. The results show that the coupled interaction between two magnetic centers is antiferromagnetic. The influence of electronegativity of atom far away from two magnetic centers on magnetic coupling interactions has been analyzed. The obtained results may be useful as reference for synthesis of the new functional complex and the molecular assembly analysis.
 
Date 2008-09-25T09:16:01Z
2008-09-25T09:16:01Z
2008-05
 
Type Article
 
Identifier 0376-4710
http://hdl.handle.net/123456789/2098
 
Language en_US
 
Publisher CSIR
 
Source IJCA Vol.47A(5) [May 2008]