Coordination chemistry, thermodynamics and DFT calculations of copper(II) NNOS Schiff base complexes.

Sheida Esmaielzadeh, Leila Azimian, Khadijeh Shekoohi, Khosro Mohammadi

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 2015;133():579-90

PMID: 24992917

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Abstract

Synthesis, magnetic and spectroscopy techniques are described for five copper(II) containing tetradentate Schiff bases are synthesized from methyl-2-(N-2'-aminoethane), (1-methyl-2'-aminoethane), (3-aminopropylamino)cyclopentenedithiocarboxylate. Molar conductance and infrared spectral evidences indicate that the complexes are four-coordinate in which the Schiff bases are coordinated as NNOS ligands. Room temperature μeff values for the complexes are 1.71-1.80B.M. corresponding to one unpaired electron respectively. The formation constants and free energies were measured spectrophotometrically, at constant ionic strength 0.1M (NaClO4), at 25˚C in DMF solvent. Also, the DFT calculations were carried out to determine the structural and the geometrical properties of the complexes. The DFT results are further supported by the experimental formation constants of these complexes.

Address: Department of Chemistry, Darab branch, Islamic Azad University, Darab 7481783143-196, Islamic Republic of Iran. Electronic address: [email protected].; Department of Chemistry, Darab branch, Islamic Azad University, Darab 7481783143-196, Islamic Republic of Iran.; Chemistry Department, Faculty of Sciences, Persian Gulf University, Bushehr 75169, Islamic Republic of Iran.

DOI: 10.1016/j.saa.2014.05.095

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MeSH Terms: Amines, Coordination Complexes, Copper, Ethane, Models, Molecular, Schiff Bases, Spectrum Analysis, Thermodynamics