Síntesis, caracterización y cálculos teóricos de nuevos compuestos de coordinación

Abstract

The present research aimed to synthesize, characterize and study at the computational level new coordination compounds. The method of saturation was selected for its simplicity and effectiveness. Dilutions of Cu(ClO4)2۰6H2O and ligands were prepared in DMF. The solutions after being (1:1) combined in constant agitation, were stored for several days. The precipitates were washed with cold ethanol, filtered and dried at moderate temperature (60 °C). All reagents and solvents were obtained from commercial houses (Aldrich, Merck, Alfa Aesar) and used without prior purification. The compounds obtained were characterized by several methods: UV-Vis spectroscopy, thermogravimetric analysis, infrared spectroscopy, X-ray diffraction, nuclear magnetic resonance and biological activity. The characterization was possible thanks to the collaborative work between the Technical University Particular of Loja, the San Francisco University of Quito, the Polytechnic University of Madrid and the National Polytechnic School of Ecuador. Computational calculatios were carried out on the UTPL calculation server using the Gaussian 09 and AIMELL programs. The results obtained provided information about the electronic and structural properties of the designed molecules