Catalytic cyclopropanation, antimicrobial, and DFT properties of some chelated transition metal(II) complexes
•Chelated transition Metal (II) complexes of general formula have been synthesized.•They showed promising anti-microbial activities against a variety of strains.•They showed excellent yields as catalysts for cyclopropanation reaction.•Molecular geometries of all complexes were fully optimized using...
Gespeichert in:
Veröffentlicht in: | Journal of molecular structure 2021-03, Vol.1228, p.129733, Article 129733 |
---|---|
Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | •Chelated transition Metal (II) complexes of general formula have been synthesized.•They showed promising anti-microbial activities against a variety of strains.•They showed excellent yields as catalysts for cyclopropanation reaction.•Molecular geometries of all complexes were fully optimized using DFT calculations.
Transition Metal (II) complexes of general formula [MII(NH2C2H4NH2)3][B(C6F5)4]2 (1-6), where (M= Mn, Fe, Co, Ni, Cu, Zn) have been synthesized and characterized in the solid state and in solution using elemental, thermogravimetric analysis, EPR, 11B-NMR and IR spectroscopy. All complexes were used as catalysts for the cyclopropanation reaction with a variety of olefins. Excellent yields up to 93% were obtained using complex 5. All prepared complexes were used as anti-bacterial agents against different types of bacteria (Gram-negative and Gram-positive), and as anti-fungal agents. Complex 6 showed the highest activity with MIC value of 8 µg/mL against Staphylococcus aureus (Gram-positive bacteria), and of 16 µg/mL against candida albicans. To get more insights into their structural features, molecular geometries of all prepared complexes were fully optimized using density functional theory calculations at the M06-2X/6-311+G** level of theory.
Complexes of general formula [MII(NH2C2H4NH2)3][B(C6F5)4]2 (1-6), where (M= Mn, Fe, Co, Ni, Cu, Zn) have been used as anti-microbial agents as well as catalysts for the cyclopropanation reaction with different olefins. They showed both excellent yields as catalysts, and very promising activities as anti-microbial agents. [Display omitted] |
---|---|
ISSN: | 0022-2860 1872-8014 |
DOI: | 10.1016/j.molstruc.2020.129733 |