Abstract
This study investigates the effectiveness of a Schiff base derived from thio-carbohydrazide and salicylaldehyde as an adsorbent for Cr(VI) removal from wastewater. The Schiff base demonstrated excellent adsorption capacity and reusability, with high removal efficiency and rapid adsorption kinetics. The results were supported by theoretical density functional theory simulations, which revealed the enhanced dynamic nature of the Schiff base system for heavy metal adsorption. These findings highlight the potential of Schiff base complexes as sustainable and efficient adsorbents for industrial wastewater treatment.