Synthesis and characterization of some transition metal complexes with Schiff base derived from 2,6-diaminopyridine

IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Rana A.S. Al-Quaba, Esraa A. Hasan, Amaal Y. Al-Assafe
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引用次数: 0

Abstract

Schiff base labeled as H2L1 was synthesized, which was derived from pyridine-2,6-diamine and 2-hydroxynaphthaldehyde. Types of complexes [ML]Cl2 and [ML(py)2]Cl2, were formed with Co2+, Ni2+, Cu2+, and Zn2+. Additionally, adduct complexes [ML(py)2] were prepared  in a ratio of 2:1. Diverse analytical techniques, elemental analyses, (FT-IR, UV-Vis, 1H NMR), conductance measurements, and magnetic susceptibility, were employed to characterize these complexes and adducts. The data acquired validated that the ligands donor atoms act as (ONNO) tetra-dentate bibasic chelating ligands with metal ions. Depending on spectral and magnetic measurements, the suggested shapes of these complexes were reported to be either tetrahedral/octahedral in geometry. Density functional theory (DFT) was used to get some theoretical data about the generated complexes. The data obtained includes the energy of the highest and lowest occupied molecular orbitals (HOMO and LUMO), electron density, ionization potential (IP), electron affinity (EA), electronegativity (En), electrophilicity (ὠ), chemical hardness (η), and dipole moment (μ). Different characteristics of the complexes have been investigated and explained based on these studied parameters. The molecular docking of target microorganisms of these complexes will be studied. The interaction of DNA gyrase 4ckk with the compounds visualized by LigPlot software. KEY WORDS: 2,6-Diaminopyridine, 2-Hydroxynaphthaldehyde, Metal complexes, Spectral studies Bull. Chem. Soc. Ethiop. 2024, 38(5), 1337-1350.                                                           DOI: https://dx.doi.org/10.4314/bcse.v38i5.12
一些过渡金属与 2,6-二氨基吡啶衍生希夫碱配合物的合成与表征
以吡啶-2,6-二胺和 2-羟基萘甲醛为原料,合成了标记为 H2L1 的希夫碱。与 Co2+、Ni2+、Cu2+ 和 Zn2+ 形成了 [ML]Cl2 和 [ML(py)2]Cl2 等类型的络合物。此外,还以 2:1 的比例制备了加合物[ML(py)2]。为了表征这些配合物和加合物,我们采用了多种分析技术、元素分析(傅立叶变换红外光谱、紫外可见光谱、1H NMR)、电导测量和磁感应强度。获得的数据验证了配体的供体原子与金属离子之间是(ONNO)四正齿双螯合配体。根据光谱和磁性测量结果,这些配合物的几何形状被认为是四面体/八面体。密度泛函理论(DFT)被用来获得有关所生成复合物的一些理论数据。获得的数据包括最高和最低占有分子轨道的能量(HOMO 和 LUMO)、电子密度、电离势(IP)、电子亲和力(EA)、电负性(En)、亲电性(ὠ)、化学硬度(η)和偶极矩(μ)。根据这些研究参数对复合物的不同特征进行了研究和解释。还将研究这些复合物与目标微生物的分子对接。DNA gyrase 4ckk 与这些化合物的相互作用通过 LigPlot 软件进行了可视化。关键词:2,6-二氨基吡啶、2-羟基萘、金属复合物、光谱研究 Bull.Chem.Soc.2024, 38(5), 1337-1350. DOI: https://dx.doi.org/10.4314/bcse.v38i5.12
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来源期刊
CiteScore
2.20
自引率
8.30%
发文量
113
审稿时长
6-12 weeks
期刊介绍: The Bulletin of the Chemical Society of Ethiopia (BCSE) is a triannual publication of the Chemical Society of Ethiopia. The BCSE is an open access and peer reviewed journal. The BCSE invites contributions in any field of basic and applied chemistry.
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