Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one Complex

• Autorzy: Dhonchak Chetna , Agnihotri Nivedita , Azam Mohammad , Javed Saleem , Muthu Sambantham , Al-Resayes Saud I. , Min Kim

Identyfikatory

DOI

10.2478/pjct-2023-0026

• Języki publikacji: EN

Abstrakty

EN

Pentavalent niobium cation forms a stable yellow-colored binary complex with 6-chloro-3-hydroxy-7-methyl-2-(2’- thienyl)-4H-chromen-4-one (CHMTC) in the ratio of 1:2. The complex is quantitatively extractable into carbon tetrachloride from HClO₄ solution maintained at pH 1.26–1.75 and strictly adheres to Beer’s law as verified by the Ringbom plot with an optimized range of determination as 0.385–1.211 ppm of Nb(V). The ligand-metal complex system shows good precision, accuracy, sensitivity, and selectivity and handles satisfactorily the analysis of several samples of varying complexity. The results are highly reproducible as confirmed by statistical data. The stability of the complex is theoretically confirmed with the help of HOMO-LUMO values and the energy gap [for CHMTC, ΔE_gap = 3.62 V and for Nb(V)-CHMTC Complex, ΔE_gap = 2.97 eV]. The reactivity descriptors were calculated for detailed computational study to probe into the chemical behavior of the studied ligand and its complex. Further, mapped electrostatic potential diagrams help in justifying the donor sites of CHMTC ligand which is in accordance with the analytical findings.

Słowa kluczowe

EN

Niobium; 6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one; spectrophotometry; DFT; density functional theory; MEP; molecular electrostatic potential

• Wydawca: West Pomeranian University of Technology. Publishing House
• Czasopismo: Polish Journal of Chemical Technology
• Rocznik: 2023
• Tom: Vol. 25, nr 3
• Strony: 63--70
• Opis fizyczny: Bibliogr. 52 poz., rys., tab., wz.

Twórcy

autor

Dhonchak Chetna

• Department of Chemistry, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala-133207, Haryana, India

autor

Agnihotri Nivedita

• Department of Chemistry, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala-133207, Haryana, India

autor

Azam Mohammad

• Department of Chemistry, College of Science, King Saud University, PO Box 2455, Riyadh 11451, Saudi Arabia

autor

Javed Saleem

• Department of Chemistry, Jamia Milia Islamia, New Delhi, India

autor

Muthu Sambantham

• Department of Physics, Aringnar Anna Govt. Arts College, Cheyyar-604407, India

autor

Al-Resayes Saud I.

• Department of Chemistry, College of Science, King Saud University, PO Box 2455, Riyadh 11451, Saudi Arabia

autor

Min Kim

• Department of Safety Engineering, Dongguk University, 123 Dongdae-ro, Gyeongju 780714, Gyeongbuk, South Korea

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Uwagi

Opracowanie rekordu ze środków MNiSW, umowa nr SONP/SP/546092/2022 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2024).