Thermodynamic aspects of the [3+2] cycloaddition reaction of triphenyl-substituted TACs and the ethyl oleate

 

 

¹ Łukasiewicz Research Network – Institute of Heavy Organic Synthesis “Blachownia”, Energetyków 9, 47-225 Kędzierzyn-Koźle, Poland
^2a Deputy Head of Research and Development, Tofigh Daru Pharmaceutical Research and Engineering Company, Tehran, Iran
^2b Department of Organic Chemistry, Payame Noor University, Tehran 19395-4697, Iran
³ Department of Environmental Health Engineering, Faculty of Health, Mazandaran University of Medical Sciences, Sari, Iran
⁴ Faculty of Medicine, The John Paul II Catholic University of Lublin, Konstantynów 1J, 20-708 Lublin, Poland

 

Correspondence to: ewa.dresler@icso.lukasiewicz.gov.pl 

pp. 248-253

 

 

The [3+2] cycloaddition reactions of triphenyl-substituted TACs and the ethyl oleate were examined on the basis of the DFT thermodynamic calculations. Free thermodynamic potentials of the reaction, values of the equilibrium constants K and equilibrium degrees were estimated on the basis of results derived from the vibrational analysis. Obtained results were compared with experimental studies on the model reaction with the participation of the C,C,N-triphenylnitrone.