Mono, bi- and trinuclear metal complexes derived from new benzene-1,4-bis(3-pyridin-2-ylurea) ligand. Spectral, magnetic, thermal and 3D molecular modeling studies
| Autor: | Akila A. Saleh, Saied M. E. Khalil, Amira A. Mohammed, Mosad A. El-ghamry |
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| Rok vydání: | 2013 |
| Předmět: |
Models
Molecular Magnetic Resonance Spectroscopy Pyridines Inorganic chemistry Ligands Analytical Chemistry chemistry.chemical_compound Transition metal Coordination Complexes Spectroscopy Fourier Transform Infrared Pyridine Benzene Derivatives Transition Elements Urea Instrumentation Spectroscopy Ligand Electron Spin Resonance Spectroscopy Nuclear magnetic resonance spectroscopy Magnetic susceptibility Atomic and Molecular Physics and Optics Square pyramidal molecular geometry Crystallography chemistry Thermogravimetry Proton NMR Mass spectrum |
| Zdroj: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 110:205-216 |
| ISSN: | 1386-1425 |
| DOI: | 10.1016/j.saa.2013.03.016 |
| Popis: | New bis (pyridylurea) ligand, H2L, was synthesized by the reaction of ethylpyridine-2-carbamate (EPC) and p-phenylenediamine. The ligand was characterized by elemental analysis, IR, (1)H NMR, electronic and mass spectra. Reaction of the prepared ligand with Co(2+), Ni(2+), Cu(2+), Fe(3+), VO(2+) and UO2(2+) ions afforded mono, bi- and trinuclear metal complexes. Also, new mixed ligand complexes of the ligand H2L and 8-hydroxyquinoline (8-HQ) with Co(2+), Ni(2+), Cu(2+) and Fe(3+) ions were synthesized. The ligand behaves as bi- and tetradentate toward the transition metal ions, coordination via the pyridine N, the carbonyl O and/or the amidic N atoms in a non, mono- and bis-deprotonated form. The complexes were characterized by elemental and thermal analyses, IR, electronic and mass spectra as well as conductance and magnetic susceptibility measurements. The results showed that the metal complexes exhibited different geometrical arrangements such as square planar, tetrahedral, octahedral and square pyramidal arrangements. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition steps of some complexes. 3D molecular modeling of the ligand, H2L and a representative complex were studied. |
| Databáze: | OpenAIRE |
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