Rana A.S. Al-Quaba, Esraa A. Hasan, Amaal Y. Al-Assafe
{"title":"Synthesis and characterization of some transition metal complexes with Schiff base derived from 2,6-diaminopyridine","authors":"Rana A.S. Al-Quaba, Esraa A. Hasan, Amaal Y. Al-Assafe","doi":"10.4314/bcse.v38i5.9","DOIUrl":null,"url":null,"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. \nKEY WORDS: 2,6-Diaminopyridine, 2-Hydroxynaphthaldehyde, Metal complexes, Spectral studies \nBull. Chem. Soc. Ethiop. 2024, 38(5), 1337-1350. \nDOI: https://dx.doi.org/10.4314/bcse.v38i5.12","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.4314/bcse.v38i5.9","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
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
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.