The mononuclear Cu II derivative, [Cu(L)(H 2 O) 2 ] (1) [where H 2 L = N,N′-bis(3-methoxysalicylidenimino)-1,3-diaminopropane] is afforded and systematically characterized. In 1, 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 complex 1 confirms the effective magnetic moment (μ eff ) 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.

EPR, DFT and electrochemical interpretation of a Cu(II) derivative incorporating a Schiff base precursor / Das, Kuheli; Goswami, Sanchita; Beyene, Belete B.; Yibeltal, Amogne W.; Garribba, Eugenio; Frontera, Antonio; Datta, Amitabha. - In: POLYHEDRON. - ISSN 0277-5387. - 159:(2019), pp. 323-329. [10.1016/j.poly.2018.11.058]

EPR, DFT and electrochemical interpretation of a Cu(II) derivative incorporating a Schiff base precursor

Garribba, Eugenio;
2019-01-01

Abstract

The mononuclear Cu II derivative, [Cu(L)(H 2 O) 2 ] (1) [where H 2 L = N,N′-bis(3-methoxysalicylidenimino)-1,3-diaminopropane] is afforded and systematically characterized. In 1, 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 complex 1 confirms the effective magnetic moment (μ eff ) 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.
2019
EPR, DFT and electrochemical interpretation of a Cu(II) derivative incorporating a Schiff base precursor / Das, Kuheli; Goswami, Sanchita; Beyene, Belete B.; Yibeltal, Amogne W.; Garribba, Eugenio; Frontera, Antonio; Datta, Amitabha. - In: POLYHEDRON. - ISSN 0277-5387. - 159:(2019), pp. 323-329. [10.1016/j.poly.2018.11.058]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11388/220691
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