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Synthesis,spectroscopic, magnetic properties and MMX force field study of two imidazolate-bridged dinuclear copper(II) complexes
Authors:Enrique Colacio  Jose Manuel Dominguez Vera  Jose Maria Moreno  Jose Ruiz  Markku R Sundberg
Institution:1. Departamento de Química Inorgánica, Facultad de Ciencias, Universidad de Granada, 18071, Granada, Spain
2. Division of Inorganic Chemistry, Department of Chemistry, University of Helsinki, Vuorikatu 20, SF-00100, Helsinki, Finland
Abstract:Two new imidazolate-bridged dinuclear CuII complexes, NaCu2(L1)2(im)] and KCu2(L2)2(im)] (where H2L1=6-amino-1,3-dimethyl-5(2-carboxyphenyl)azouracil and H2L2=1,3-dimethyl-5(2-carboxyphenyl)azobarbituric acid) have been prepared and characterized by magnetic susceptibility and spectroscopic measurements. Both compounds exhibit the expected antiferromagnetic behaviour with 2J=−54.8 and −30.4 cm−1, respectively. Because of the lack of suitable crystals for single crystal X-ray analysis, we have calculated the lowest energy structures using a program based on the MMX force field. On the basis of the results, the magnitude of the magnetic interaction is discussed. TMC 2623
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