The eco–environmental toxicity of the rare metal palladium (Pd) has received extensive attention, thereby requiring simple and practical methods for detecting Pd. Herein, a new probe (HPD) based on dicyanoisophorone dye was designed and synthesized for the detection of Pd. HPD provides several advantages for tracking Pd, including near–infrared (NIR) emission (λex = 670 nm, λem = 700 nm), naked–eye recognition, and comprehensive detection of 0/2/4 valence Pd with good selectivity and anti–interference. The reaction–sensing mechanism of HPD for Pd was further studied using density functional theory calculations. HPD was demonstrated to be a promising tool for the detection of Pd in real water samples, as well as the imaging of Pd in living cells and animals.
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