Synthesis, crystal structure, Hirshfeld surface analysis and determination of antioxidant activity for a new mononuclear tris-oxalato-chromium(III) complex

• Published in: Journal of molecular structure Vol. 1240; p. 130560
• Main Authors: Dridi, Rihab, Essghaier, Badiaa, Cherni, Saoussen Namouchi, Zid, Mohamed Faouzi
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.09.2021
• Subjects: Antioxidant activity; Hirshfeld surfaces analysis; Optical characterization; Structural determination; Thermal stability; Hirshfeld surfaces analysis; Structural determination; Optical characterization; Antioxidant activity; Thermal stability
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2021.130560

•Novel supramolecular chromium compound was synthesized and characterized.•The crystal structure was elucidated by single crystal X-ray diffraction method.•Thermal stability and Hirshfeld surface analysis of the new complex are discussed.•The complex shows a good antioxidant activity when compared to ascorbic acid using DPPH, ATBS and FRAP assays. The new metal-organic material tris-5-methylbenzimidazolium(trioxalatochromate(III)) trihydrate ((C8H9N2)3 [Cr(C2O4)3].3H2O) was prepared using slow evaporation method at room temperature and characterized by X-ray diffraction, spectroscopy and thermal analysis. In the crystal structure, the Cr(III) ion is surrounded by six oxygen atoms from three oxalate ligands, forming a distorted octahedral environment. The charge compensation is accomplished by the incorporation of 5-methylbenzimidazolium cations. Crystal packing is mostly governed by strong OH…O and NH…O hydrogen bond interactions. Intermolecular interactions in the crystal structure were quantified by Hirshfeld surface analysis. TGA showed that the synthesized complex possesses considerable stability. Optical absorption reveals a band gap energy indicating the semi-conductive nature of the title compound. In addition, three tests, 1,1-diphenyl-2-picrylhydrazyl (DPPH), ABTS radical scavenging and ferric reducing power (FRAP) methods, were done and successfully showing significant antioxidant activities. [Display omitted]