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204921

Synthesis, Characterization, Biological Activity and Quantum Chemical Calculations of New Oxadiazole Derivatives

Article

Last updated: 01 Jan 2025

Subjects

-

Tags

Inorganic chemistry

Abstract

The two ligands (E)-3-(2-(5-(2-(5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)hydrazineyl)-1,3,4-thiadiazol-2-yl) hydrazineylidene)indolin-2-one (L1) ,(E)-5-(5-(2-(5-(2-((1H-pyrrol-2-yl)methylene hydrazinyl)-1,3,4-thiadiazol-2-yl)hydrazinyl)- 1,3,4-oxadiazol-2-y1) benzene-1,2,3-triol (L2) and their Fe(III) and Ni(II) complexes were synthesized by addition and elimination reactions .The ligands and their complexes characterized by spectroscopic methods (FTIR , 1H-NMR , MS ). The ligand acts as a bidentate ligand coordinating through the nitrogen atom of the oxadiazole ring and the nitrogen atom of amino group. This view is further supported by the appearance of a band corresponding to the metal-nitrogen and vibration at 454–688 cm–1 and 314-466 cm-1 in the complexes respectively. The magnetic studies suggest a octahedral and square planar geometry of the complexes. The complex of Fe (III) have shown octahedral geometry, the complex of Ni (II) has shown square planar geometry with prepared ligands. HOMO-LUMO molecular orbitals analysis of these ligands (L1,L2) and some quantum chemical parameters derived from frontier molecular orbitals were studied. The new ligands and their complexes has shown moderate to good activity against three type fungi .

DOI

10.21608/ejchem.2021.101574.4720

Keywords

1, 3, 4-oxadiazol, Transition metal complexes, Different spectroscopic methods, Biological Activity, Frontier molecular orbitals

Authors

First Name

Samia Mezhr

Last Name

Merdas

MiddleName

-

Affiliation

Department of Chemistry, College of Science, University of Thi-Qar, Iraq

Email

samia.m_mschem@sci.utq.edu.iq

City

-

Orcid

-

Volume

65

Article Issue

5

Related Issue

29749

Issue Date

2022-05-01

Receive Date

2021-10-18

Publish Date

2022-05-01

Page Start

635

Page End

645

Print ISSN

0449-2285

Online ISSN

2357-0245

Link

https://ejchem.journals.ekb.eg/article_204921.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=204921

Order

60

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

https://ejchem.journals.ekb.eg/

MainTitle

Synthesis, Characterization, Biological Activity and Quantum Chemical Calculations of New Oxadiazole Derivatives

Details

Type

Article

Created At

22 Jan 2023