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Title: Theoretical study on magnetic coupling interactions of the binuclear copper(II) complexes
Authors: Miao, Ti-fang
Li, Shuang
Issue Date: May-2008
Publisher: CSIR
Abstract: 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.
Page(s): 695-698
ISSN: 0376-4710
Appears in Collections:IJC-A Vol.47A(05) [May 2008]

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