Over the years, ground and surface water has been reported to be contaminated with phosphates. These phosphates are known to cause various diseases and if present in excess can lead to eutrophication. The known silane chemistry has not been thoroughly investigated for the sensing of anions. In the current study four new triazole based silanes have been prepared by the renowned Click Chemistry for the selective and sensitive detection of dihydrogen phosphate. The synthesized compounds were well characterized by various spectroscopic techniques and their absorptive and emissive responses were investigated for the recognition of dihydrogen phosphate ions. The binding ratio between triazole based silane chemosensor and dihydrogen phosphate has been discovered from Job's plot and was also confirmed by non‐linear fitting method. The value of association constant was found to be 571.18 M−1. The limit of detection (LOD) and limit of quantitation (LOQ) were calculated by fluorescence spectroscopy. The results obtained clearly illustrated that triazole based silane could be used as a potent chemosensor for selective and sensitive recognition of dihydrogen phosphate. Further, the possible binding site of chemosensor for dihydrogen phosphate has been identified from 1H NMR studies and DFT calculations. At last real sample analysis was performed to check the practical applicability of chemosensor.
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