1,10-Phenanthroline based colorimetric and fluorescent sensor for Hg2+ in water: Experimental and DFT study

Abstract A novel colorimetric probe ( L ) was prepared and its metal ion sensing properties were investigated. Probe L exhibited obvious colorimetric response toward Hg 2+ in water. The association constant for probe L -Hg 2+ in water containing 0.5% DMSO (v/v) was determined as 1.77 × 10 5  M −1 . The detection limit of probe L for the analysis of Hg 2+ was determined as 21.72 ppb. Moreover, probe L can be used for selective sensing of Hg 2+ based on the obvious color changes in real samples. Further, the interaction between the probe L and Hg 2+ was investigated by 1 H NMR titration and the probable structure of probe L -Hg 2+ complex was predicted by B3LYP method.