A SPECTROPHOTOMETRIC DETERMINATION AND THE QUANTUM CHEMICAL INVESTIGATION OF Pd(II)-3-HYDROXY-2-(4-METHOXYPHENYL)-4-OXO-4H-1-BENZOPYRAN COMPLEX
Agnihotri N. Mohini Al-Resayes S.I. Javed S. Azam M. Saurav K. Muthu S. Kumar V. Singh M.
2024Chemical Society of Ethiopia
Bulletin of the Chemical Society of Ethiopia
2024#38Issue 3591 - 603 pp.
An analytical approach has been instigated for spectrophotometric inquisition of trace amounts of palladium in its bivalent oxidation state employing a novel 1-benzopyran derivative viz. A 1:2 [Pd(II):HMPB] light yellow complex is formed by a spontaneous interaction between Pd(II) and HMPB. The complex is quantitatively extracted from a weakly basic medium into dichloromethane absorbing prevalently and consistently at 405-425 nm. The method coheres to linearity up to 1.5 µg mL-1 of palladium(II). Analytical parameters such as the molar absorption coefficient (ε=3.011 × 104 L mol-1 cm-1), Sandells sensitivity [0.0035 µg Pd(II) cm-2], % RSD (0.62%) and the limit of detection [0.0147 µg Pd(II) mL-1] indicate that the study satisfies all the criteria for good sensitivity, precision and accuracy. In addition, intervention with regard to numerous anions/complexing agents and cations of primary analytical importance has been performed to assess the methods flexibility and usefulness. The results show that the majority of them do not cause any interference during determination. To better understand chemistry of the prepared complex, spectroscopic quantum chemical studies including DFT and MEP mapping based on examination of the electronic characteristics of the complex in its most stable least energy conformation are used.
3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran , DFT , Docking , Extractive spectrophotometric determination , MEP , Palladium
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