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X-Ray Crystallographic Analysis, EPR Studies, and Computational Calculations of a Cu(II) Tetramic Acid Complex

Abstract

In this work we present a structural and spectroscopic analysis of a copper(II) N-acetyl-5-arylidene tetramic acid by using both experimental and computational techniques. The crystal structure of the Cu(II) complex was determined by single crystal X-ray diffraction and shows that the copper ion lies on a centre of symmetry, with each ligand ion coordinated to two copper ions, forming a 2D sheet. Moreover, the EPR spectroscopic properties of the Cu(II) tetramic acid complex were also explored and discussed. Finally, a computational approach was performed in order to obtain a detailed and precise insight of product structures and properties. It is hoped that this study can enrich the field of functional supramolecular systems, giving place to the formation of coordination-driven self-assembly architectures.

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PMID: 35024133 PMC: 8672780. DOI: 10.1039/d1sc05542a.

References
1.
Schobert R, Jagusch C, Melanophy C, Mullen G . Synthesis and reactions of polymer-bound Ph3P=C=C=O: a quick route to tenuazonic acid and other optically pure 5-substituted tetramates. Org Biomol Chem. 2004; 2(23):3524-9. DOI: 10.1039/b412779j. View

2.
Fujimori T, Yamada S, Yasui H, Sakurai H, In Y, Ishida T . Orally active antioxidative copper(II) aspirinate: synthesis, structure characterization, superoxide scavenging activity, and in vitro and in vivo antioxidative evaluations. J Biol Inorg Chem. 2005; 10(8):831-41. DOI: 10.1007/s00775-005-0031-3. View

3.
Schobert R, Schlenk A . Tetramic and tetronic acids: an update on new derivatives and biological aspects. Bioorg Med Chem. 2008; 16(8):4203-21. DOI: 10.1016/j.bmc.2008.02.069. View

4.
DeToma A, Krishnamoorthy J, Nam Y, Lee H, Brender J, Kochi A . Synthetic Flavonoids, Aminoisoflavones: Interaction and Reactivity with Metal-Free and Metal-Associated Amyloid-β Species. Chem Sci. 2014; 5(12):4851-4862. PMC: 4217218. DOI: 10.1039/c4sc01531b. View

5.
Langer P, Doring M, Schreiner P, Gorls H . Synthesis of radialene-shaped pyrroles by multiple-anion-capture reactions of 1,3-dianions. Chemistry. 2001; 7(12):2617-27. DOI: 10.1002/1521-3765(20010618)7:12<2617::aid-chem26170>3.0.co;2-f. View