A new vanadium complex having [OVV(µ-O)2VVO] core with anti-coplanar configuration: Synthesis, crystal structure, DFT calculation, antibacterial and a homogeneous catalyst for epoxidation of alkenes. (15th January 2021)

• Record Type: Journal Article
• Authors: Mirdarvatan, Vahid; Bahramian, Bahram; Khalaji, Aliakbar Dehno; Poupon, Morgane; Dusek, Michal; Mazandarani, Raouf
• Is Part Of: Polyhedron. Volume 194(2021)
• Publication Date: 2021-01-15
• Subjects: Dioxidovanadium(V) complex -- Schiff base -- Antibacterial activity -- DFT -- Epoxidation of alkenes; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2020.114939
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Highlights: Dinuclear vanadium(V) Schiff base complex containing [OV V (µ-O)2 V V O] core. Homogeneous catalyst for epoxidation of alkenes. Density functional theory (DFT) calculations. Antibacterial activity of the ligand and vanadium complex. Abstract: A new dinuclear vanadium(V) Schiff base complex [VO2 (L)]2 with [OV V (µ-O)2 V V O] core was synthesized and characterized by FT-IR and 1 H NMR spectroscopy and single-crystal X-ray analysis. The X-ray structural analysis revealed a centrosymmetric structure with anti-coplanar configuration, consisting of two symmetry-independent complex parts. In each part, two edge sharing symmetry-related octahedral V V O centers connected two ONN Schiff base ligands. Epoxidation of cis‐cyclooctene was carried out in the presence of this complex, and the experimental procedures were optimized. The optimized experimental conditions were implemented and tested successfully for the epoxidation of some other substituted alkenes. Density functional theory (DFT) calculations were done to obtain the electronic and geometric structures of the complex. The in vitro antibacterial activity of the ligand (HL) and its corresponding vanadium(V) complex was evaluated against three gram-positive ( S. aureus, E. faecalis, and B. cereus ) and three gram-negative ( P. aeruginosa, E. coli, and K. pneumoniae ) bacterial strains.