A Computational Study on the Antioxidant Activity of Certain Random Copolyesters Containing Bis(arylidene) Cycloalkanone Moiety in the Main Chain

Authors

  • B. Kiruba PG & Research Department of Chemistry, Rajeswari Vedachalam Government Arts College, Chengalpattu, Affiliated to University of Madras, Chennai - 603 001, India
  • S. Chidambaravinayagam PG & Research Department of Chemistry, Rajeswari Vedachalam Government Arts College, Chengalpattu, Affiliated to University of Madras, Chennai - 603 001, India

DOI:

https://doi.org/10.3329/jsr.v15i2.62038

Abstract

A series of five random copolyesters was synthesized by polycondensation of different arylidene diols with curcumin as a common diol and a common diacid chloride in the ratio of 1:1:2, respectively. The five arylidene diols were synthesized by an acid-catalyzed Claisen condensation reaction. The repeating units present in these five random copolyesters and also the backbone was identified by FT-IR, 1H-NMR, and 13C-NMR spectroscopic techniques. The curcumin based copolyester exhibited good antioxidant activity, confirmed by various antioxidant activity determinations. Structural analysis such as HOMO and LUMO energies and the HOMO-LUMO energies gap of the molecule has been calculated using the B3LYP/6-311+G (d, p) level of theory. The antioxidant property of the molecule can be explained by the hydrogen atom transfer by theoretical study.

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Published

2023-05-01

How to Cite

Kiruba, B., & Chidambaravinayagam , S. . (2023). A Computational Study on the Antioxidant Activity of Certain Random Copolyesters Containing Bis(arylidene) Cycloalkanone Moiety in the Main Chain. Journal of Scientific Research, 15(2), 531–546. https://doi.org/10.3329/jsr.v15i2.62038

Issue

Vol. 15 No. 2 (2023)

Section

Section B: Chemical and Biological Sciences

License

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© Journal of Scientific Research

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