Reactivity, structural characterisation, DFT calculations and biological properties of nickel complexes with tetradent ligands transformed by oxidative coupling reactions
Creators
- 1. Universite Constantine 1 (Algeria)
- 2. Faculte des Sciences de la Nature et de la Vie, Departement de Biologie Animale, Laboratoire de Biologie et Environnement, Universite Freres Mentouri Constantine1, 25000 Constantine, (Algeria)
- 3. Unite de Recherche de Chimie de l'Environnement et Moleculaire Structurale - CHEMS, Universite Freres Mentouri Constantine1, Route Ain elbey, 25000 Constantine, (Algeria)
- 4. Laboratoire de Chimie appliquee et Technologie des Materiaux, Universite Larbi Ben M'Hidi - Oum El Bouaghi, 04000 Oum El Bouaghi, (Algeria)
Description
In this presentation, we illustrate the synthesis and structural characterisation by single-crystal X-ray diffraction of a series of nickel(II) complexes based on acetylacetone-bis(salicyl-hydrazone). In order to gain a better understanding of the chemical reactivity of these complexes, we characterised the electronic structures and spin states of the metal ions using DFT calculations. These calculations were used to describe the location, nature and energy gap between the crucial orbitals in these compounds. We also evaluated the in vitro antioxidant activities of the compounds against the DPPH radical and hydrogen peroxide. Our results show that the compounds exhibit good radical scavenging activities
Abstract (French)
Dans cette presentation, nous illustrons la synthese et la caracterisation structurale par diffractions des rayons X sur monocristal d'une serie de complexes de nickel (II) a base de l'acetylacetonebis(salicylhydrazone). Afin de mieux apprehender la reactivite chimique de ces complexes, nous avons caracterise les structures electroniques et l'etat de spin des ions metalliques a l'aide de calculs DFT. Ces calcules ont permis de decrire la localisation, la nature et l'ecart energetique entre les orbitales cruciales dans ces composes. Par ailleurs, nous avons evalue les activites antioxydantes in vitro des composes contre le radical DPPH et le peroxyde d'hydrogene. Nos resultats revelent que les composes presentent une bonne activites de piegeage des radicaux
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Additional details
Additional titles
- Original title (French)
- Reactivite, caracterisation structurale, calculs DFT et proprietes biologiques de complexes de nickel avec des ligands tetradentes transformes par des reactions de couplage oxydatif
Publishing Information
- Imprint Title
- 15. Colloquium X rays and matter. Abstract collection
- Imprint Pagination
- 216 p.
- Journal Page Range
- p. 191
- Report number
- INIS-FR--24-0616
Conference
- Title
- 15. Colloquium X rays and matter
- Original Conference Title
- 15. Colloque Rayons X et Matiere. Recueil des resumes
- Dates
- 21-24 Nov 2023
- Place
- Bordeaux (France)
INIS
- Country of Publication
- France
- Country of Input or Organization
- France
- INIS RN
- 55038776
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S46: INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; MONOCRYSTALS; NICKEL COMPLEXES; X-RAY DIFFRACTION
- Descriptors DEC
- CALCULATION METHODS; COHERENT SCATTERING; COMPLEXES; CRYSTALS; DIFFRACTION; SCATTERING; TRANSITION ELEMENT COMPLEXES; VARIATIONAL METHODS
Optional Information
- Notes
- Imprint:15. Colloque Rayons X et Matiere. Recueil des resumes