| Titre |
Theoretical Study of Coordination of Succinimide, of N-hydroxosuccinimide and of Their Deprotonated Form |
| Auteurs |
Atohoun Yacolé Guy Sylvain [2],
|
| Journal: |
International Research Journal of Pure & |
| Catégorie Journal: |
Internationale |
| Impact factor: |
0 |
| Volume Journal: |
12 |
| DOI: |
DOI: 10.9734/IRJPAC/2016/29063 |
| Resume |
Transition metals complexes with a given structure could be alternatives in treatment of some
incurable diseases because the coordination of active ingredients modifies deeply the physiological
properties of metals and of ligands. This work is a theoretic study of the coordination of
succinimide, of N-hydroxosuccinimide and of their depronated forms. The aim of this study was the
determination of the more favorable coordination site of each ligand. It was found that the
succinimide and N-hydroxosuccinimide form complexes via an imide oxygen atom. The
succinimide deprotonated species forms a complex through the nitrogen atom. The deprotonated
form of the N-hydroxosuccinimide can form a chelate via an imide oxygen atom and the oxygen
atom from hydroxyl group. Calculations have be performed by DFT/B3LYP method in the 6-311g++(d,p) orbital basis set in the Laboratory of theoretical chemistry and Molecular Spectroscopy
(LACTHESMO), Abomey-Calavi University between January and June 2016. |
| Mots clés |
Coordination compound; succinimide; zinc(II) chloride; DFT/ B3LYP; 6-311G++(d,p). |
| Pages |
1 - 11 |
| Fichier |
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