Experimental and theoretical investigation into the design of nickel(II), copper(II), and zinc(II) complexes substituted with pyrazole ligand
Alenzi M.K. Azam M. Al-Resayes S.I. Kansız S. Çamaş A.S. Agurokpon D.C. Louis H. Kumar V. Dege N. Alam M.
1 September 2024Elsevier Ltd
Polyhedron
2024#259
A novel series of metal complexes of 3d elements of the type, [MLCl2] [M = Ni(II), Cu(II) & Zn(II), L = ligand] produced from an ampyrone-based ligand was discussed. A thorough investigation was carried out using elemental analyses, LC-MS, FT-IR, 1H- & 13C NMR, and thermogravimetric analysis for the ligand and its complexes. The ligand was additionally characterized through single crystal X-ray crystallography, revealing a monoclinic system with the C2/c space group, featuring dimensions a = 17.8776(12) Å, b = 6.8982(6) Å, c = 29.862(2) Å, β = 101.170(5)°. Hirshfeld surface analysis was employed to unveil various intermolecular interactions in the ligand. Additionally, theoretical investigations were conducted to have a better understanding of the structures. Moreover, the antimicrobial efficacy of all investigated compounds was assessed.
Ampyrone ligand , Antimicrobial analyses , metal complexes , Single crystal , Theoretical studies
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Department of Chemistry, College of Science, King Saud University, PO BOX 2455, Riyadh, 11451, Saudi Arabia
Samsun University, Faculty of Engineering, Department of Fundamental Sciences, Samsun, 55420, Turkey
Samsun University, Faculty of Engineering, Department of Biomedical Engineering, Turkey
Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria
Department of Research Analytics, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, India
Department of Microbiology, International Medical School, University of International Business, Almaty, Kazakhstan
Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, Samsun, 55139, Turkey
Department of Safety Engineering, Dongguk University, 123 Dongdae-ro, Gyeongbuk, Gyeongju, 780714, South Korea
Department of Chemistry
Samsun University
Samsun University
Computational and Bio-Simulation Research Group
Department of Research Analytics
Department of Microbiology
Department of Physics
Department of Safety Engineering
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