Synthesis, structural characterization, catalytic activity on aerobic oxidation of novel Co(II) and Fe(II) phthalocyanines and computational studies of 4-[2-(2,3-dichlorophenoxy)ethoxy]phthalonitrile

•Synthesis and characterization of 4-[2-(2,3-dichlorophenoxy)ethoxy] substituted Co(II) and Fe(II) phthalocyanines.•Determination of catalytic activities of Co(II) and Fe(II) phthalocyanines on oxidation of phenolic compounds.•The computational studies of 4-[2-(2,3-dichlorophenoxy)ethoxy]phthalonitrile.

4-[2-(2,3-dichlorophenoxy)ethoxy] substituted Co(II) and Fe(II) phthalocyanines were successfully synthesized and characterized by the spectroscopic methods (IR, 1H NMR, UV–Vis, mass spectrometry and elemental analysis). Determination of the optimal conditions for oxidation of phenolic compounds, the catalytic reactions were carried out change the reaction temperature, time and different oxidants, subst./cat. ratio. In the presence of phthalocyanine derivatives 4 and 5, we demonstrated that phenolic compounds oxidize to the less harmfull products with high conversion and yield. Additionally, the computational studies of 4-[2-(2,3-dichlorophenoxy)ethoxy]phthalonitrile were done in this work.

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