Experimental and theoretical investigation into the design of nickel(II) copper(II), and zinc(II) complexes substituted with pyrazole ligand

被引：3

作者：

Alenzi, Malak Khalaf ^{[1
]}

Azam, Mohammad ^{[1
]}

Al-Resayes, Saud I. ^{[1
]}

Kansiz, Sevgi ^{[2
]}

Camas, Anil Sazak ^{[3
]}

Agurokpon, Danial Clement ^{[4
]}

Louis, Hitler ^{[4
,5
]}

Kumar, Vikas ^{[6
]}

Dege, Necmi ^{[7
]}

Alam, Mahboob ^{[8
]}

机构：

[1] King Saud Univ, Coll Sci, Dept Chem, POB 2455, Riyadh 11451, Saudi Arabia

[2] Samsun Univ, Fac Engn, Dept Fundamental Sci, TR-55420 Samsun, Turkiye

[3] Samsun Univ, Fac Engn, Dept Biomed Engn, Samsun, Turkiye

[4] Univ Calabar, Computat & Biosimulat Res Grp, Calabar, Nigeria

[5] Saveetha Univ, Saveetha Dent Coll & Hosp, Saveetha Inst Med & Tech Sci, Dept Res Analyt, Chennai, India

[6] Univ Int Business, Int Med Sch, Dept Microbiol, Alma Ata, Kazakhstan

[7] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Samsun, Turkiye

[8] Dongguk Univ, Dept Safety Engn, 123 Dongdae-ro, Gyeongju 780714, Gyeongbuk, South Korea

来源：

POLYHEDRON | 2024年 / 259卷

关键词：

Ampyrone ligand; metal complexes; Single crystal; Theoretical studies; Antimicrobial analyses; SCHIFF-BASE COMPLEXES; DNA-BINDING; CRYSTAL-STRUCTURE;

D O I：

10.1016/j.poly.2024.117073

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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- & C-13 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) angstrom, b = 6.8982(6) angstrom, c = 29.862(2) angstrom, beta = 101.170(5)degrees. 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.

引用

页数：11

共 46 条

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