Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

Abstract

Synthesis , Characterization and Computational Study of some New Schiff Base Derivative from 5,6-dinitro-1H-indene-1,3(2H)-dione

Author(s): Afaq A.Turki, Hannan Al-Hazaamand Abbas F. Abbas

Multifunctional Schiff base ligands from 5,6-dinitro-1H-indene-1,3(2H)-dione with aniline derevitives (Scheme 1) were synthesized. These Schiff base compounds have been characterized by C, H, N elemental analysis, FT-IR, and 1H NMR spectroscopy. The structural and electronic properties of para- substituted phenyl have been investigated theoretically by performing semi-empirical molecular orbital theory at the level of PM3 of theory. The optimized structures, relative binding energies, atomic charges, position of HOMO and LUMO of the molecules are obtained.


PDF