Synthesis, characterization, molecular modeling and anti-algal activities of a Schiff base and its m+2 complexes

Abstract

In present work Four new complexes of 2-hydroxy-5-methylbenzaldehyde -N-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazine have been synthesized with some transition metals, i.e. Ni+2, Cu+2 , Co+2 and Zn+2 in non-aqueous medium. Complexes were characterized by magnetic moment, conductance, scanning electron microscopy (SEM) and spectroscopic investigations including infrared, ultraviolet-visible and atomic absorption spectroscopy. To support experimental characterization, quantum mechanical and molecular mechanical (QM/MM) calculations were performed. Experimental results with the support of QM and MM computations highlighted the proposition about the ligand to be bound to the metal ions in a tridentate manner through its phenolic oxygen, azomethine nitrogen and carbonyl group (C=O). On the basis of experimental and computational results, tetrahedral geometry is proposed for Cu+2 complex and distorted tetrahedral geometry is proposed for Zn+2 complex while octahedral geometries are proposed for Co+2 and Ni+2 complexes. For all compounds, anti-cyanobacterial (algicidal) activity was evaluated against three marine cyanobacteria i.e. Pseudoanabaena lonchoides, Lyngbya contorta, and Spirulina major. It was found that the metal complexes are more potent anti-cyanobacterial agents than the ligand

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