Estimating the energy of noncovalent interactions in a dioxovanadium(V) Schiff base complex: Exploration of its phenoxazinone synthase like activity. (1st March 2018)

• Record Type: Journal Article
• Authors: Thakur, Snehasish; Sarkar, Nandita; Drew, Michael G.B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik
• Is Part Of: Polyhedron. Volume 142(2018)
• Page Start: 83
• Page End: 92
• Publication Date: 2018-03-01
• Subjects: Vanadium(V) -- Schiff base -- Crystal structure -- Noncovalent interactions -- Phenoxazinone synthase like activity; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2017.11.053
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: A mononuclear dioxovanadium(V) Schiff base complex has been synthesized and characterized. Noncovalent interactions have been explored by means of DFT and MEP calculations and characterized using Bader's theory of "atoms in molecules" (AIM). The complex shows catalytic activity towards the oxidation of o -aminophenol to 2-aminophenoxazine-3-one. Abstract: A mononuclear dioxovanadium(V) Schiff base complex, [VO2 (L)] {HL = 2-((diethylamino)ethyliminomethyl)-4-bromophenol} has been synthesized and characterized. The importance of noncovalent interactions in the solid state of the complex has been studied by means of DFT and MEP calculations and characterized using Bader's theory of "atoms in molecules" (AIM). The complex has been found to show catalytic activity towards the aerial oxidation of o -aminophenol (OAPH). Kinetics of the reaction has been monitored spectrophotometrically.