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Experimental and theoretical quantum chemical studies of 2-(2-acetamidophenyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide and its copper(II) complex: molecular docking simulation of the designed coordinated ligand with insulin-like growth factor-1 receptor (IGF-1R).
BMC Chem
June 2024
Chemistry Department, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, 21321, Alexandria, Egypt.
Newly synthesized ligand 2-(2- acetamidophenyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide and its copper(II) complex were characterized by elemental analyses, FT-IR, UV-Vis., ESR, H-NMR, and thermal analysis along with the theoretical quantum chemical studies. Combined experimental and theoretical DFT (density functional theory) studies showed the ligand to be a tridentate ligand with three coordinate bonds.
View Article and Find Full Text PDFElectrocatalytic Ammonia Oxidation by a Low-Coordinate Copper Complex.
J Am Chem Soc
November 2022
Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, United States.
Molecular catalysts for ammonia oxidation to dinitrogen represent enabling components to utilize ammonia as a fuel and/or source of hydrogen. Ammonia oxidation requires not only the breaking of multiple strong N-H bonds but also controlled N-N bond formation. We report a novel β-diketiminato copper complex [PrNN]Cu-NH ([Cu]-NH ()) as a robust electrocatalyst for NH oxidation in acetonitrile under homogeneous conditions.
View Article and Find Full Text PDFCopper(ii) ketimides in sp C-H amination.
Chem Sci
December 2021
Department of Chemistry, Georgetown University Box 571227-1227 Washington DC 20057 USA
Commercially available benzophenone imine (HN[double bond, length as m-dash]CPh) reacts with β-diketiminato copper(ii) -butoxide complexes [Cu]-O Bu to form isolable copper(ii) ketimides [Cu]-N[double bond, length as m-dash]CPh. Structural characterization of the three coordinate copper(ii) ketimide [MeNN]Cu-N[double bond, length as m-dash]CPh reveals a short Cu-N distance (1.700(2) Å) with a nearly linear Cu-N-C linkage (178.
View Article and Find Full Text PDFThree-Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.
J Am Chem Soc
October 2020
Department of Chemistry, Georgetown University, Box 571227-1227, Washington, District of Columbia 20057, United States.
Copper(II) alkynyl species are proposed as key intermediates in numerous Cu-catalyzed C-C coupling reactions. Supported by a β-diketiminate ligand, the three-coordinate copper(II) alkynyl [Cu]-C≡CAr (Ar = 2,6-ClCH) forms upon reaction of the alkyne H-C≡CAr with the copper(II) -butoxide complex [Cu]-OBu. In solution, this [Cu]-C≡CAr species cleanly transforms to the Glaser coupling product ArC≡C-C≡CAr and [Cu](solvent).
View Article and Find Full Text PDFThree-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.
J Am Chem Soc
July 2017
Department of Chemistry, Georgetown University, Box 571227-1227, Washington, D.C. 20057, United States.
Copper(II) aryl species are proposed key intermediates in Cu-catalyzed cross-coupling reactions. Novel three-coordinate copper(II) aryls [Cu]-CF supported by ancillary β-diketiminate ligands form in reactions between copper(II) alkoxides [Cu]-OBu and B(CF). Crystallographic, spectroscopic, and DFT studies reveal geometric and electronic structures of these Cu(II) organometallic complexes.
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