Antibacterial Investigation and Structural Study on Few ortho-Mercapto-azo Compounds by Spectroscopic Techniques and DFT Calculation

Author:

Karim Murshida1ORCID,Ahmed Nizamuddin2ORCID

Affiliation:

1. Department of Chemistry, B.N. College, Dhubri-783324, India

2. School of Physical Science, Sherubtse College, Kanglung, Bhutan

Abstract

An efficient method has been applied for the synthesis of bivalent ortho-mercapto-azo compounds by using green reduction, condensation using ionic liquid and green debenzylation. These greener steps provide the benefits like higher yields, shorter reaction times and simple work-up. Density functional theory (DFT) calculation and XRD analysis proved the ionic nature of these compounds as 2-arylbenzo-1-thia-2,3-diazol-2-ium (BTD+) bromide due to intramolecular cyclization between electrophilic sulfur atom and ortho-azo group. Some extent of LUMO orbital is present in electrophilic sulfur atom in BTD+ bromides. These sulfenyl bromides were also found to be active against antibacterial strains.

Publisher

Asian Journal of Chemistry

Subject

General Chemistry

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