A Cu(II) complex based on a Schiff base ligand derived from Ortho-vanillin: Synthesis, DFT analysis and catalytic activities.
In: Journal of Molecular Structure, Jg. 1274 (2023-02-10), S. N.PAG
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Zugriff:
• A novel Cu(II) complex based on a Schiff base ligand was prepared. • It was used as a homogeneous catalyst for the oxidation of a variety of primary and secondary alcohols. • This novel catalyst proved to be an efficient catalyst for the oxidation reactions in the presence of N-methyl imidazole and TBHP oxidant. • To calculate electronic structures, a density functional theory analysis of the Cu(II) complex was carried out. The synthesis of a new Cu(II) complex with a bidentate Schiff base is presented. The ligand L was characterized using 1H NMR, 13C NMR, IR and UV–Visible spectroscopy techniques. Structural analysis of CuL 2 was carried out using single crystal X-ray diffraction in which the copper center adopts a square planar geometry with two naphthyl substituents perpendicular to the molecular plane. The structure has been further analyzed by IR and UV–Visible spectroscopy techniques. Density functional theory (DFT) and TD-DFT studies provided further information on the structural features and electronic transitions of CuL 2. The catalytic activity of CuL 2 was investigated in the oxidation of selected primary and secondary alcohols. These reactions were carried out in the presence of various oxidants such as oxygen, hydrogen peroxide or tert‑butyl hydroperoxide (TBHP) and additives such as sulphuric acid, acetic acid and imidazole. The oxidant/additive combination of TBHP and imidazole was shown to be effective for the oxidation process, and the degree of their impact on the oxidation reaction is highly dependent on a balanced ratio between them. [ABSTRACT FROM AUTHOR]
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A Cu(II) complex based on a Schiff base ligand derived from Ortho-vanillin: Synthesis, DFT analysis and catalytic activities.
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Autor/in / Beteiligte Person: | Neshat, Abdollah ; Cheraghi, Mahdi ; Kucerakova, Monika ; Dusek, Michal ; Mobarakeh, Ali Mousavizadeh |
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Zeitschrift: | Journal of Molecular Structure, Jg. 1274 (2023-02-10), S. N.PAG |
Veröffentlichung: | 2023 |
Medientyp: | academicJournal |
ISSN: | 0022-2860 (print) |
DOI: | 10.1016/j.molstruc.2022.134545 |
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