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 - Článek v odborném periodiku
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
Grant CEP: GA MŠMT(CZ) EF16_019/0000760
Grant ostatní: OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institucionální podpora: RVO:68378271
Klíčová slova: Schiff base * copper catalyst * alcohol oxidation * density functional theory * crystal structure
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 3.8, rok: 2022
Způsob publikování: Omezený přístup
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.
Trvalý link: https://hdl.handle.net/11104/0341685