Highly selective and sensitive receptor for Fe3+ probing.

Area of Science:

• Supramolecular Chemistry
• Analytical Chemistry
• Computational Chemistry

Background:

• Development of selective fluorescent sensors is crucial for detecting metal ions.
• Iron(III) (Fe3+) detection is important in environmental and biological monitoring.
• Existing methods for Fe3+ detection often lack selectivity or sensitivity.

Purpose of the Study:

• To design and synthesize a novel fluorescent receptor for selective Fe3+ detection.
• To investigate the sensing capabilities of the receptor in a mixed solvent system.
• To elucidate the binding mechanism and affinity of the receptor for Fe3+.

Main Methods:

• Synthesis of a new fluorescent receptor: 1,1'-(4-methylbenzene-1,3-diyl)bis[3-(2-sulfanylphenyl)urea] (1).
• Fluorescence spectroscopy was used to study the interaction with metal ions.
• Binding constants were determined using Benesi-Hildebrand, Scatchard, and Connor plot methods.
• Density Functional Theory (DFT) calculations were performed to support experimental findings.

Main Results:

• The synthesized receptor (1) exhibited excellent selectivity for Fe3+ ions.
• The sensor demonstrated high sensitivity and selectivity in a DMSO/H2O (8:2, v/v) solvent system.
• Binding constants (Ka) for Fe3+ were calculated to be in the range of 11,250–12,970 M−1.
• DFT calculations corroborated the experimental observations regarding the receptor-Fe3+ interaction.

Conclusions:

• The novel fluorescent receptor shows high potential for selective and sensitive detection of Fe3+.
• The study provides a robust platform for developing advanced chemosensors for iron monitoring.
• Computational insights enhance the understanding of the sensing mechanism.