EPR, DFT and electrochemical interpretation of a Cu(II) derivative incorporating a Schiff base precursor. (1st February 2019)

• Record Type: Journal Article
• Authors: Das, Kuheli; Goswami, Sanchita; Beyene, Belete B.; Yibeltal, Amogne W.; Garribba, Eugenio; Frontera, Antonio; Datta, Amitabha
• Is Part Of: Polyhedron. Volume 159(2019)
• Page Start: 323
• Page End: 329
• Publication Date: 2019-02-01
• Subjects: Cu(II) -- Crystal structure -- EPR -- DFT -- Redox; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2018.11.058
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: A new mononuclear Cu(II) derivative is afforded incorporating the potentially di-compartmental hexadentate Schiff base precursor. Besides the X-ray structure, DFT computation is subjected to evident the geometrical and spectral nature of the complex. Additionally, the electrochemical study confirms the presence of three reversible redox potentials among the Cu(II) system. Abstract: The mononuclear Cu II derivative, [Cu(L)(H2 O)2 ] (1 ) [where H2 L = N, N ′-bis(3-methoxysalicylidenimino)-1, 3-diaminopropane] is afforded and systematically characterized. In1, the central Cu II atom is linked to the NNOO donor atoms of the di-compartmental Schiff base precursor and additionally coordinated with two water molecules; thus achieves a distorted octahedral geometry. The EPR spectrum is simulated with WinEPR software having g || = 2.210 and g ⊥ = 2.041. We also conduct the DFT computational study which fits well with experimental affirmation. The room temperature magnetic susceptibility of complex1 confirms the effective magnetic moment (μeff ) value as 1.99 B.M. The electrochemical measurement using cyclic voltammetry showed redox potentials at +0.63, −1.25, and −1.82 V versus Ag/AgCl, which are due to reversible and rapid Cu(III/II), Cu(II/I) and Cu(I/0) process.