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Journals / Turkish Journal of Chemistry / 2015 / Cilt: 39 - Sayı: 3

Synthesis, characterization, biological studies, and molecular modeling of mixed ligand bivalent metal complexes of Schiff bases based on N-aminopyrimidine-2-one/2-thione

Mehmet SÖNMEZ
İsmet BERBER
Feyza YILMAZ
Tuğba TOK TAŞKIN
Hatice Gamze SOĞUKÖMEROĞULLARI
Pages
497–509
Publication Date
2022-11-05
DOI
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In addition, the ground state geometries of the complexes were optimized using a semi-empirical method at PM6 level, which is a suitable and effective basis set for organometallic and large structures to obtain information about their 3D geometries and electronic structures.

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Objective & Hypothesis:Abstract: New mixed Schiff bases, Cu(II), Co(II), Ni(II), and Mn(II) complexes, were synthesized derived from 5-chloro-2-hydroxyacethophenone and 1-amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-one/thione.
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Key Findings & Data:The compound named Co(L1L) had good antifungal activity against Candida species, but no profound antibacterial effect against bacterial strains.
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Conclusion & Impact:In addition, the ground state geometries of the complexes were optimized using a semi-empirical method at PM6 level, which is a suitable and effective basis set for organometallic and large structures to obtain information about their 3D geometries and electronic structures.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Domain Parameters

Abstract

Abstract: New mixed Schiff bases, Cu(II), Co(II), Ni(II), and Mn(II) complexes, were synthesized derived from 5-chloro-2-hydroxyacethophenone and 1-amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-one/thione. These complexes were characterized by elemental analysis, magnetic measurements, molar conductivity, IR, electronic, NMR, and mass spectral studies. All the complexes showed nonelectrolytic behavior. Moreover, the newly synthesized mixed ligand complexes were evaluated for their in vitro antimicrobial efficiency against bacteria and yeast. The compound named Co(L1L) had good antifungal activity against Candida species, but no profound antibacterial effect against bacterial strains. In addition, the ground state geometries of the complexes were optimized using a semi-empirical method at PM6 level, which is a suitable and effective basis set for organometallic and large structures to obtain information about their 3D geometries and electronic structures.

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Cite This Article

SÖNMEZ, M., BERBER, İ., YILMAZ, F., TAŞKIN, T. T., SOĞUKÖMEROĞULLARI, H. G. (2022). Synthesis, characterization, biological studies, and molecular modeling of mixed ligand bivalent metal complexes of Schiff bases based on N-aminopyrimidine-2-one/2-thione. Turkish Journal of Chemistry, Cilt: 39 - Sayı: 3, 497–509. https://ajindex.com/articles/588783

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