%0 Journal Article %T Synthesis, X-ray crystal structures, electrochemistry and theoretical investigation of a tetradentate nickel and copper Schiff base complexes %+ Laboratoire d'Electrochimie des Matériaux Moléculaires et Complexes %+ Université frères Mentouri Constantine I (UMC) %+ École normale supérieure - Constantine (ENS Constantine) %+ Université Mohamed El Bachir El Ibrahimi [Bordj Bou Arréridj] %+ Institut Jean Lamour (IJL) %+ Institut Lumière Matière [Villeurbanne] (ILM) %A Rahmouni, Samra %A Djedouani, Amel %A Anak, Barkahem %A Tabti, Salima %A Bendaas, Abderrahmen %A Bencharif, Mustapha %A Francois, Michel %A Fleutot, Solenne %A Rabilloud, Franck %< avec comité de lecture %@ 0022-2860 %J Journal of Molecular Structure %I Elsevier %V 1148 %P 238-246 %8 2017 %D 2017 %R 10.1016/j.molstruc.2017.07.032 %K Metal complexes %K Crystallography Electrochemistry %K Quantum chemical Calculations (DFT) %Z Chemical Sciences %Z Physics [physics] %Z Engineering Sciences [physics]Journal articles %X New tetradentate mononuclear nickel(II) [NiL] and pentadentate binuclear copper(II) [Cu2L2H2O], H2O Schiff base complexes have been synthesized. The crystal structures of [NiL] and [Cu2L2H2O], H2O have been determined by X-ray diffraction method showing distorted square-planar geometry for [NiL] and distorted tetragonal pyramid geometry for [Cu2L2H2O], H2O. In both complexes, the dehydroacetic acid functional group engages in a deprotonated manner and coordination occurs through the nitrogen atoms of the imine function and the phenolic oxygen. Density Functional Theory calculations are carried out for the determination of the optimized structures. The fundamental vibrational wave numbers are calculated and a good agreement between observed and calculated wave numbers is achieved. %G English %2 https://univ-lyon1.hal.science/hal-02317599/document %2 https://univ-lyon1.hal.science/hal-02317599/file/manuscript_revised%20%281%29.pdf %L hal-02317599 %U https://univ-lyon1.hal.science/hal-02317599 %~ CNRS %~ UNIV-LYON1 %~ UNIV-LORRAINE %~ INC-CNRS %~ IJL-UL %~ ILM %~ UDL %~ UNIV-LYON %~ TEST-HALCNRS %~ TEST2-HALCNRS