A 'turn-off' fluorescence sensor for selective Hg(II) based on phenothiazine derivative

Given how crucial it is to preserve a human-safe and sustainable environment, the rapid discovery of possibly lethal heavy metals such as Hg(II) has drawn much attention in recent years. A novel sensor, known as (E)-2-((10-octyl-10H-phenothiazin-3-yl)methylene)hydrazine-1-carbothioamide (PTZHC), was synthesized as a fluorescence 'on-off' sensor for Hg2+ ions. Coordination alters organic molecule electron densities, quenching the fluorescence intensity. PTZHC was described completely with the help of FTIR and H-1-NMR spectrum studies. 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 x 10(-8) M and the Job's plot examination implied that PTZHC was bound to Hg2+ with a simple 1:1 stoichiometry in s CH3CN/H2O (9:1, v/v) suspension. To further cast light on the bridged effect on geometric and optoelectronic characteristics, time-dependent density functional theory (TD-DFT) at the B3LYP/6-31G(d) level and DFT were both examined.

Automated summary

Given the importance of environmental preservation, the discovery of potentially lethal heavy metals like Hg(II) has attracted significant attention. A fluorescence 'on-off' sensor, PTZHC, was synthesized to detect Hg2+ ions. The sensor successfully detected Hg2+ even in the presence of other metal ions. The detection limit was estimated to be 2.5 x 10(-8) M, and the sensor exhibited a 1:1 stoichiometric binding to Hg2+ in a CH3CN/H2O (9:1, v/v) suspension. Time-dependent density functional theory (TD-DFT) and DFT were used to investigate the bridged effect on geometric and optoelectronic characteristics.