<abstract xmlns="http://www.w3.org/1999/xhtml">

Pentavalent niobium cation forms a stable yellow-colored binary complex with 6-chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4<italic>H</italic>-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, Δ<italic>E</italic>gap = 3.62 V and for Nb(V)-CHMTC Complex, Δ<italic>E</italic>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.
</abstract>

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, ΔEgap = 3.62 V and for Nb(V)-CHMTC Complex, ΔEgap = 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.

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

Maharishi Markandeshwar (Deemed to be University)

Department of Chemistry, College of Science

Department of Chemistry, Jamia Milia Islamia

Polish Journal of Chemical Technology

This work is licensed under the Creative Commons Attribution 4.0 International License.

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

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...

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

Published Online: Oct 12, 2023

Page range: 63 - 70

DOI: https://doi.org/10.2478/pjct-2023-0026

Keywords
Niobium, 6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4-chromen-4-one, spectrophotometry, DFT, MEP

© 2023 Chetna Dhonchak et al., published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 International License.

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

Published Online: Oct 12, 2023

Page range: 63 - 70

DOI: https://doi.org/10.2478/pjct-2023-0026

KeywordsNiobium, 6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4-chromen-4-one, spectrophotometry, DFT, MEP

© 2023 Chetna Dhonchak et al., published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 International License.

Keywords
Niobium, 6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4-chromen-4-one, spectrophotometry, DFT, MEP