Synthesis, Structural Characterization and Theoretical Investigations of New Azo-Azomethine Compounds Bearing Acryloyl Moiety

  • Sevil Ozkınalı Hitit University, Department of Chemistry, Çorum, Turkey
  • M. Serdar Cavus Kastamonu University, Biomedical Engineering Department, Kastamonu, Turkey
  • Busra Sakin Hitit University, Department of Chemistry, Çorum, Turkey

Abstract

In this study six new azo-azomethine dyes containing acryloyl group, 4-[[[4-[4-methylphenylazo)phenyl]imino]methyl]phenyl-2-propenoat, 4-[[[4-[4-hydroxyphenyl-azo)phenyl]imino]methyl]phenyl-2-propenoat, 4-[[[4-(phenylazo)phenyl]imino]methyl]-phenyl-2-propenoat, 4-[[[4-[4-chlorophenylazo)phenyl]imino]methyl]phenyl-2-propenoat, 4-[[[4-[4-nitrophenylazo)phenyl]imino]methyl]phenyl-2-propenoat were synthesized. The acryloyl derivatives of the azo-azomethine dyes were prepared with metallic sodium and acryloyl chloride in 1:1 Molar ratio and characterized using elemental analysis, IR, UV-Vis, 1H-NMR and 13C-NMR spectroscopy. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311G(2d,2p) and cc-pvtz basis sets in ground state. From the optimized geometry of the compounds, vibrational frequencies, UV-Vis, molecular electrostatic potential distribution and frontier molecular orbitals were performed using same method and basis stets, and the results were compared with the experimental data.

Keywords:

Azo-Azomethine; Schiff bases; Imine group; DFT; Acryloyl chloride

DOI: 10.17350/HJSE19030000101

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Published
2017-12-22
How to Cite
Ozkınalı, S., Cavus, M., & Sakin, B. (2017). Synthesis, Structural Characterization and Theoretical Investigations of New Azo-Azomethine Compounds Bearing Acryloyl Moiety. Hittite Journal of Science & Engineering, 5(4), 259-269. Retrieved from https://www.hjse.hitit.edu.tr/hjse/index.php/HJSE/article/view/HJSE19030000101
Section
SCIENCE