Evidence from structural analysis tools along with DFT modeling revealed an unusual monobasic tridentate salen binding mode, involving the phenolic oxygen, the nitrogen of the azomethine group, and NH group formed via phenol-to-cyclohexadienone tautomerization, giving rise to a general molecular formula of MSI complexes as for M (II) = Co, Ni, Cu and Cd or for M (III) = Al and La, respectively. To explore the structure/reactivity of this class of compounds, a salen-based ligand, namely (2,2 0-diphenol, S), and its binary (MS) and ternary (MSI) complexes (I = imidazole M = Co (II), Ni (II), Cu (II), Cd (II), Al (III), and La (III)) have been synthesized and fully characterized by standard physicochemical and theoretical methods. Although salens and imidazoles are well-studied motifs among bioactive and therapeutic agents, their properties when combined in transition metal complexes are not well developed.
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