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Analytical, Spectral, Thermal and Molecular Modeling Studies of Hg<sup>2+</sup>-2,3-Butanedionemonoxime Girard’s T Hydrazone Complex and Its Application

Analytical, Spectral, Thermal and Molecular Modeling Studies of Hg<sup>2+</sup>-2,3-Butanedionemonoxime Girard’s T Hydrazone Complex and Its Application
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摘要 The coordination behavior of 2,3-butanedionemonoxime Girard’s T hydrazone (L<sup>1</sup>) towards Hg<sup>2+</sup> ion has been investigated. The structure of Hg<sup>2+</sup> complex, [Hg(L<sup>1</sup>)Cl]Cl·5H<sub>2</sub>O, is elucidated using elemental analyses, spectral (IR, UV-visible, 1H-NMR and mass) and TGA measurements. IR spectrum suggests that L<sup>1</sup> behaves in a bidentate manner through the azomethine groups. The molecular modeling of L<sup>1</sup> and its Hg<sup>2+</sup> complex has been investigated. The bond lengths, bond angles, HOMO and LUMO have been calculated. The thermal behavior and kinetic parameters are determined using Coats-Redfern method. The use of L<sup>1</sup> for preconcentration and separation via flotation of Hg<sup>2+</sup> complex and determination using cold vapor atomic spectrometry (CVAAS) is described. The effects on the percentage of recovered Hg<sup>2+</sup> by pH of sample solutions, oleic acid (HOL) concentration, Hg<sup>2+</sup> and L<sup>1</sup> concentrations are studied in details. The method is applied for the determination of the total Hg<sup>2+</sup> (mg·mL<sup>-1</sup>) in natural water samples. The coordination behavior of 2,3-butanedionemonoxime Girard’s T hydrazone (L<sup>1</sup>) towards Hg<sup>2+</sup> ion has been investigated. The structure of Hg<sup>2+</sup> complex, [Hg(L<sup>1</sup>)Cl]Cl·5H<sub>2</sub>O, is elucidated using elemental analyses, spectral (IR, UV-visible, 1H-NMR and mass) and TGA measurements. IR spectrum suggests that L<sup>1</sup> behaves in a bidentate manner through the azomethine groups. The molecular modeling of L<sup>1</sup> and its Hg<sup>2+</sup> complex has been investigated. The bond lengths, bond angles, HOMO and LUMO have been calculated. The thermal behavior and kinetic parameters are determined using Coats-Redfern method. The use of L<sup>1</sup> for preconcentration and separation via flotation of Hg<sup>2+</sup> complex and determination using cold vapor atomic spectrometry (CVAAS) is described. The effects on the percentage of recovered Hg<sup>2+</sup> by pH of sample solutions, oleic acid (HOL) concentration, Hg<sup>2+</sup> and L<sup>1</sup> concentrations are studied in details. The method is applied for the determination of the total Hg<sup>2+</sup> (mg·mL<sup>-1</sup>) in natural water samples.
作者 Najlaa S. Al-Radadi Magda M. Akl Mohamed A. Elbeshlawi Mohsen M. Mostafa Najlaa S. Al-Radadi;Magda M. Akl;Mohamed A. Elbeshlawi;Mohsen M. Mostafa(Chemistry Department, Faculty of Science, Taibah University, Al-Madinah, Saudia Arabia;Chemistry Department, Faculty of Science, Mansoura University, Mansoura, Egypt)
出处 《Open Journal of Inorganic Chemistry》 2016年第1期1-14,共14页 无机化学期刊(英文)
关键词 Mercury Complex 2 3-Butanedionemonoxime Girard’s T Hydrazone Modeling Spectral Studies Separation Using Flotation Method Mercury Complex 2 3-Butanedionemonoxime Girard’s T Hydrazone Modeling Spectral Studies Separation Using Flotation Method
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