Theoretical Study of Coordination of Succinimide, of N-hydroxosuccinimide and of Their Deprotonated Forms

Abstract

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.