Synthesis, characterization and DFT investigation of new metal complexes of Ni(II), Mn(II) and VO(IV) containing N,O-donor Schiff base ligand
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Título: | Synthesis, characterization and DFT investigation of new metal complexes of Ni(II), Mn(II) and VO(IV) containing N,O-donor Schiff base ligand |
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Autor/es: | Aggoun, Djouhra | Messasma, Zakia | Bouzerafa, Brahim | Berenguer Betrián, Raúl | Morallon, Emilia | Ouennoughi, Yasmina | Ourari, Ali |
Grupo/s de investigación o GITE: | Electrocatálisis y Electroquímica de Polímeros |
Centro, Departamento o Servicio: | Universidad de Alicante. Departamento de Química Física | Universidad de Alicante. Instituto Universitario de Materiales |
Palabras clave: | N,O donors ligand | Bis-bidentate Schiff base complexes | Spectral studies | Cyclic voltammetry | Thermogravimetry | DFT calculations |
Área/s de conocimiento: | Química Física |
Fecha de publicación: | 5-may-2021 |
Editor: | Elsevier |
Cita bibliográfica: | Journal of Molecular Structure. 2021, 1231: 129923. https://doi.org/10.1016/j.molstruc.2021.129923 |
Resumen: | In this work, a bidentate Schiff base ligand (HL) containing N and O as donor heteroatoms has been used to synthesize series of new stable metal complexes of general composition of M(L)2 with M = Mn, Ni and VO. This ligand was obtained from condensation of 2-methoxybenzylamine on 2,3-dihydroxybenzaldehyde in methanolic solutions in which its complexes were obtained by mixing the corresponding metal acetate salt and the ligand in 1:2 molar ratio. The resulting three complexes have been characterized by different analytical techniques like FT-IR, UV-Vis, mass spectroscopy, thermogravimetry and cyclic voltammetry, to identify their molecular structures and redox/electrochemical properties. Moreover, the effect of the metal on the complexes electronic properties with their reactivity has also been studied by Density Functional Theory (DFT). The stable structures were optimized by using the hybrid B3LYP/6–31 G method. The spectroscopic data obtained suggest that the metal is bonded to the ligand through the phenolic-like oxygen and the imine-type nitrogen atoms. Electronic and vibrational absorption spectra of the nickel complex was found to be of square-planar geometry while square-pyramidal and octahedral geometries have been proposed for VO(IV) and Mn(II) complexes, respectively. The thermogravimetric analyses of these complexes confirmed the presence of water molecules in their structures and thermal decomposition led to the formation of metal oxides as the latest residues. The voltammogram of the Ni(II) complex suggests the existence of quasi-reversible redox system in DMSO solution. |
Patrocinador/es: | The authors would like to thank the MESRS and DG-RSDT (Ministère de l’Enseignement Supérieur et de la Recherche Scientifique et la Direction Générale de la Recherche et du Développement Technologique-Algérie) for their financial support. Financial support from the Ministerio de Economía y Competitividad (Spain) and FEDER (MAT2016-76595-R and RYC-2017-23618) is also gratefully acknowledged. |
URI: | http://hdl.handle.net/10045/112497 |
ISSN: | 0022-2860 (Print) | 1872-8014 (Online) |
DOI: | 10.1016/j.molstruc.2021.129923 |
Idioma: | eng |
Tipo: | info:eu-repo/semantics/article |
Derechos: | © 2021 Elsevier B.V. |
Revisión científica: | si |
Versión del editor: | https://doi.org/10.1016/j.molstruc.2021.129923 |
Aparece en las colecciones: | INV - GEPE - Artículos de Revistas |
Archivos en este ítem:
Archivo | Descripción | Tamaño | Formato | |
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Aggoun_etal_2021_JMolStruct_final.pdf | Versión final (acceso restringido) | 4,12 MB | Adobe PDF | Abrir Solicitar una copia |
Aggoun_etal_2021_JMolStruct_preprint.pdf | Preprint (acceso abierto) | 1,29 MB | Adobe PDF | Abrir Vista previa |
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