A combined experimental and theoretical study on an ionic cobalt(III/II) complex with a Schiff base ligand. (15th May 2020)

• Record Type: Journal Article
• Authors: Ghosh, Kousik; Dutta, Tamal; Drew, Michael G.B.; Frontera, Antonio; Chattopadhyay, Shouvik
• Is Part Of: Polyhedron. Volume 182(2020)
• Publication Date: 2020-05-15
• Subjects: Ionic cobalt(III/II) complex -- Crystal structure -- DFT calculations; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2020.114432
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: An ionic cobalt(III/II) complex has been synthesized and characterized by several analytical techniques. To understand the main reason behind the stabilization of this ionic cobalt(III/II) complex, DFT calculations have been performed in detail. DFT calculations indicate that a combination of strong CH3 ⋯π and H-bonding interactions play a crucial role in the stabilization of this complex. Abstract: An ionic cobalt(III/II) complex, [Co III (L)2 ][Co II (NCS)3 (H2 O)], where H2 L = 2-((3-aminopropylimino)methyl)-6-methoxyphenol, has been synthesized and characterized by several analytical techniques, including single crystal X-ray diffraction analysis. The energetic features of the solid state non-covalent interactions involved in the titled ionic coordination complex have been studied by means of DFT computations, which indicate that a combination of strong CH3 ···π and H-bonding interactions is the main reason behind the stabilization of this complex.