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...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Journal of molecular structure 2021-03, Vol.1228, p.129733, Article 129733
Hauptverfasser: Hijazi, Ahmed K., Taha, Ziyad A., Al-Dawood, Lina A., Ababneh, Taher S., Al-Momani, Waleed M.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
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