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

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.