Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-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 of 1:2. The complex is quantitatively extractable into carbon tetrachloride from HClO4 solution maintained at pH 1.26–1.75 and strictly adhere...
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| Format: | Article |
| Language: | English |
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Sciendo
2023-09-01
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| Series: | Polish Journal of Chemical Technology |
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| Online Access: | https://doi.org/10.2478/pjct-2023-0026 |
| _version_ | 1797659603819823104 |
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| author | Dhonchak Chetna Agnihotri Nivedita Azam Mohammad Javed Saleem Muthu Sambantham Al-Resayes Saud I Min Kim |
| author_facet | Dhonchak Chetna Agnihotri Nivedita Azam Mohammad Javed Saleem Muthu Sambantham Al-Resayes Saud I Min Kim |
| author_sort | Dhonchak Chetna |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-11T18:16:34Z |
| format | Article |
| id | doaj.art-cf6f93250f6640b697fd07e2f8fb0cf0 |
| institution | Directory Open Access Journal |
| issn | 1899-4741 |
| language | English |
| last_indexed | 2024-03-11T18:16:34Z |
| publishDate | 2023-09-01 |
| publisher | Sciendo |
| record_format | Article |
| series | Polish Journal of Chemical Technology |
| spelling | doaj.art-cf6f93250f6640b697fd07e2f8fb0cf02023-10-16T06:07:53ZengSciendoPolish Journal of Chemical Technology1899-47412023-09-01253637010.2478/pjct-2023-0026Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one ComplexDhonchak Chetna0Agnihotri Nivedita1Azam Mohammad2Javed Saleem3Muthu Sambantham4Al-Resayes Saud I5Min Kim61Department of Chemistry, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala-133207, Haryana, India1Department of Chemistry, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala-133207, Haryana, India2Department of Chemistry, College of Science, King Saud University, PO Box 2455, Riyadh 11451, Saudi Arabia3Department of Chemistry, Jamia Milia Islamia, New Delhi, India4Department of Physics, Aringnar Anna Govt. Arts College, Cheyyar-604407, India2Department of Chemistry, College of Science, King Saud University, PO Box 2455, Riyadh 11451, Saudi Arabia5Department of Safety Engineering, Dongguk University, 123 Dongdae-ro, Gyeongju 780714, Gyeongbuk, South KoreaPentavalent 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.https://doi.org/10.2478/pjct-2023-0026niobium6-chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4h-chromen-4-onespectrophotometrydftmep |
| spellingShingle | Dhonchak Chetna Agnihotri Nivedita Azam Mohammad Javed Saleem Muthu Sambantham Al-Resayes Saud I Min Kim Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one Complex Polish Journal of Chemical Technology niobium 6-chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4h-chromen-4-one spectrophotometry dft mep |
| title | Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one Complex |
| title_full | Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one Complex |
| title_fullStr | Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one Complex |
| title_full_unstemmed | Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one Complex |
| title_short | Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one Complex |
| title_sort | theoretical investigations into the spectrophotometrically analyzed niobium v 6 chloro 3 hydroxy 7 methyl 2 2 thienyl 4h chromen 4 one complex |
| topic | niobium 6-chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4h-chromen-4-one spectrophotometry dft mep |
| url | https://doi.org/10.2478/pjct-2023-0026 |
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