||Theoretical Study of Coordination of Succinimide, of N-hydroxosuccinimide and of Their Deprotonated Form
Atohoun Yacolé Guy Sylvain ,
||International Research Journal of Pure &
||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.
||Coordination compound; succinimide; zinc(II) chloride; DFT/ B3LYP; 6-311G++(d,p).
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