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

摘要

The mononuclear Cu-II derivative, [Cu(L)(H2O)(2)] (1) [where H2L = 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(II)= 2.210 and g(perpendicular to)= 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 (mu(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 AgiAgC1, which are due to reversible and rapid Cu(III/II), Cu(II/I) and Cu(I/O) process. (C) 2018 Elsevier Ltd. All rights reserved.