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

4-[2-(2,3-dichlorophenoxy)ethoxy] substituted Co(II) and Fe(II) phthalocyanines were successfully synthesized and characterized by the spectroscopic methods (IR, H-1 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. (C) 2016 Elsevier B.V. All rights reserved.