An oxo-bridged binuclear Cu(II) complex, [CuL2]2, has been synthesized and characterized by microanalysis, spectra (infrared and electronic), and X-ray diffraction crystallography. The theoretical properties of the complex were studied using the semi-empirical
PM3 method. The optimized geometries, dipole moment, thermodynamic parameters, and vibrational frequencies were investigated. The crystal structure revealed that each Cu(II) was five-coordinate with a distorted square pyramidal geometry (τ = 0.324 and 0.307). The two
units of the complex were bridged by phenolic oxygens to give a binuclear Cu(II) complex with the average bridging angle and Cu…Cu distance being 98.49° and 3.413 Å, respectively. Theoretical studies revealed that the geometric parameters are in agreement with the experimental
data. The compound was stable and has good non-linear optical properties.
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Document Type: Research Article
Department of Chemistry, Rhodes University, Grahamstown, South Africa
Department of Chemistry, Nelson Mandela Metropolitan University, Port Elizabeth, South Africa
Department of Chemistry, University of Ibadan, Ibadan, Nigeria
January 2, 2016