Solvatochromic, spectroscopic, DFT calculations, antimicrobial and docking studies of new Fe(III), Co(II), and Ni(II) chelates containing 1,2,4-triazine.

Ebtesam M Abdelrhman, Fatma Samy, Omima M I Adly, Mona Boshra, Mohamed F Eid, Nesma Salah

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Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

6 authors.

Ebtesam M AbdelrhmanChemistry Department, Faculty of Education, Ain Shams University, Cairo, Egypt.

Fatma SamyChemistry Department, Faculty of Education, Ain Shams University, Cairo, Egypt.

Omima M I AdlyChemistry Department, Faculty of Education, Ain Shams University, Cairo, Egypt. omima_adly@edu.asu.edu.eg.

Mona BoshraChemistry Department, Faculty of Education, Ain Shams University, Cairo, Egypt.

Mohamed F EidChemistry Department, Faculty of Education, Ain Shams University, Cairo, Egypt.

Nesma SalahChemistry Department, Faculty of Education, Ain Shams University, Cairo, Egypt.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study presents the synthesis and characterization of three novel metal chelates: Ni(DTHMN) (1), Co(DTHMN) (2), and Fe(DTHMN) (3). Comprehensive analytical techniques, including elemental analysis, infrared (IR) and electronic (UV-Vis) spectroscopy, thermal analysis, molar conductivity, and magnetic susceptibility measurements, were employed to investigate their structural and electronic properties. The findings indicate that the ligand DTHMN acts as a tridentate donor, coordinating through the hydroxyl group (O-H), azomethine nitrogen (C = N), and triazine nitrogen atoms, forming mononuclear chelates with tetrahedral or octahedral geometries. X-ray diffraction (XRD) and transmission electron microscopy (TEM) analyses confirmed that the Ni(DTHMN) chelate adopts a nano-spherical to cubic morphology. All synthesized chelates exhibit luminescence behavior, suggesting potential utility in photoactive materials. Solvatochromic shifts in absorption and fluorescence spectra were analyzed to estimate ground-state (µ

Indexed as

1,2,4-triazine1HNJAntimicrobial activityChelatesDFTHydrazoneNLO

Identifiers

PMID42034673

DOI10.1038/s41598-026-48416-3

PMCPMC13110366

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