Abstract

Given how crucial it is to preserve a human-safe and sustainable environment, rapid discovery of possibly lethal heavy metals like Hg (II) has drawn a lot of attention in recent years. As a fluorescence "On-Off" sensor for the Hg2+ ion, a novel sensor known as (E)-2-((10-Octyl-10H-phenothiazin-3-yl)methylene)hydrazine-1-carbothioamide) (PTZHC) was synthesized. Coordination alters the organic molecules' electron densities, quenching the fluorescence's intensity. With the help of FT-IR and 1 H-NMR spectrum studies, the PTZHC was completely described. The Hg2+ ion was successfully detected using the PTZHC sensor even when there were other metal ions present. The limit of the detection was estimated to be 2.5 × 10-8 M and the Job's plot examination implied that PTZHC was bound to Hg2+ with a simple 1:1 stoichiometry in the suspension of CH3 CN/H2 O (9:1, v/v). To further cast light on the bridged impact on geometric and optoelectronic characteristics, time-dependent TD-DFT at the B3LYP/6-31G(d) level and density functional theory (DFT) were both examined.

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