A Cu(II) complex based on a Schiff base ligand derived from Ortho-vanillin: synthesis, DFT analysis and catalytic activities

0567419 - FZÚ 2024 RIV NL eng J - Journal Article
Neshat, A. - Cheraghi, M. - Kučeráková, Monika - Dušek, Michal - Mobarakeh, A.M.
A Cu(II) complex based on a Schiff base ligand derived from Ortho-vanillin: synthesis, DFT analysis and catalytic activities.
Journal of Molecular Structure. Roč. 1274, č. 1 (2023), č. článku 134545. ISSN 0022-2860. E-ISSN 1872-8014
R&D Projects: GA MŠMT(CZ) EF16_019/0000760
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institutional support: RVO:68378271
Keywords : Schiff base * copper catalyst * alcohol oxidation * density functional theory * crystal structure
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.8, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.molstruc.2022.134545

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 CuL2 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 tr ansitions of CuL2. The catalytic activity of CuL2 was investigated in the oxidation of selected primary and secondary alcohols.
Permanent Link: https://hdl.handle.net/11104/0341685