Experimental and Theoretical Studies of the Pyrazoline Derivative 5-(4-methylphenyl)-3-(5-methylfuran-2-yl)-1-phenyl-4,5-dihydro-1H-Pyrazole and its Application for Selective Detection of Cd2+ ion as Fluorescent Sensor

Abstract

A simple fluorescent chemosensor 5-(4-methylphenyl)-3-(5-methylfuran-2-yl)-1-phenyl-4, 5-dihydro-1H-pyrazole (PY) has been synthesized for the detection of Cd²⁺ ion.The fluorescent probe PY shows high selectivity for Cd²⁺in the presence of othermetal ions (Co²⁺, Cu²⁺, Hg²⁺, Mn²⁺, Zn²⁺, Fe³⁺, Pb²⁺, Ni²⁺, and Al³⁺). The fluorescence intensity of the PY has been strongly quenched with increasing concentration of Cd²⁺ (0-0.9 μM)via photoinduced electron transfer mechanism. The binding constant of Cd²⁺ to PY for the 1:1 complex isfound to be 5.3 × 10⁵ M^-1with a detection limit of 0.09 μM. The chemosensor was successfully applied for determination of Cd²⁺ in different water samples (tap, river, and bottled water) showing good recovery values in the range of 94.8-101.7% with RSD less than 3%. Density functional theory (DFT) calculations were also performed to investigate electronic and spectral characteristics which are quite agreeable with the experimental value. The results show that the synthesized fluorescent chemosensor shows good selectivity towards Cd²⁺ and can be readily applied for the detection of Cd²⁺ in real samples including water samples.

Keywords: Cadmium ion; DFT Study; Fluorescent Probe; Pyrazoline.