Novel Synthesis of NE, N′E-4,4′-sulfonylbis(N-(substituted-dichlorobenzylidene) anilines derivative their application biological and DFT studies

Abstract

The structure of synthesized compounds has been established on the basis of their spectral (FT-IR, 1H&13C NMR and Mass) data. The purity of the compounds was confirmed by TLC. The compounds 1-3 were evaluated for their in vitro activity against several microbes. Compound 1-3 exhibited potent antibacterial activity with the reference standard ciprofloxacin and fluconazol. In the ground-state, compounds 1-3 molecular geometries were determined using the DFT based on B3LYP/6-31G(d, p) and compared to the experimental results. In addition, compounds 1-3, MEP maps and molecular frontier orbitals were performed, and the results obtained were compatible with the electronic properties.