Thermodynamic studies on 4-aminocoumarin tautomers

Ahmed A. Al-Amiery, Huda Dhia Jaffar, Hasan R. Obayes, Ahmed Y. Musa, Abdul Amir H. Kadhum, Abu Bakar Mohamad

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

As there are no thermodynamic studies on the 4-aminocoumarin tautomerization molecule, this study was done for the first time in the world. 4-Aminocoumarin molecule stability was studied in the gaseous state and it has two isomers (imino form and amino form). The theoretical study and based on the results of density functions theory (DFT), imino possess higher stability state compared with amino. The thermodynamic values (the change in entropy ΔS and the change in enthalpy ΔH) of the isomerization form of amino to imino revealed that the conversion is spontaneous and endothermic.. The results showed that wavelength for greatest absorption (Λmax) of imino form is longer than amino and this is due to the formation of a new double bond which leads to the association distribution of the electronic density along the molecule in the imino form.

Original languageEnglish
Pages (from-to)8468-8472
Number of pages5
JournalInternational Journal of Electrochemical Science
Volume7
Issue number9
Publication statusPublished - 2012

Fingerprint

Aminocoumarins
Thermodynamics
Molecules
Isomerization
Isomers
Probability density function
Enthalpy
Entropy
Association reactions
Wavelength

Keywords

  • 4-Aminocoumarin
  • Enthalpy
  • Entropy
  • HOMO
  • LUMO

ASJC Scopus subject areas

  • Electrochemistry

Cite this

Al-Amiery, A. A., Jaffar, H. D., Obayes, H. R., Musa, A. Y., Kadhum, A. A. H., & Mohamad, A. B. (2012). Thermodynamic studies on 4-aminocoumarin tautomers. International Journal of Electrochemical Science, 7(9), 8468-8472.

Thermodynamic studies on 4-aminocoumarin tautomers. / Al-Amiery, Ahmed A.; Jaffar, Huda Dhia; Obayes, Hasan R.; Musa, Ahmed Y.; Kadhum, Abdul Amir H.; Mohamad, Abu Bakar.

In: International Journal of Electrochemical Science, Vol. 7, No. 9, 2012, p. 8468-8472.

Research output: Contribution to journalArticle

Al-Amiery, AA, Jaffar, HD, Obayes, HR, Musa, AY, Kadhum, AAH & Mohamad, AB 2012, 'Thermodynamic studies on 4-aminocoumarin tautomers', International Journal of Electrochemical Science, vol. 7, no. 9, pp. 8468-8472.
Al-Amiery AA, Jaffar HD, Obayes HR, Musa AY, Kadhum AAH, Mohamad AB. Thermodynamic studies on 4-aminocoumarin tautomers. International Journal of Electrochemical Science. 2012;7(9):8468-8472.
Al-Amiery, Ahmed A. ; Jaffar, Huda Dhia ; Obayes, Hasan R. ; Musa, Ahmed Y. ; Kadhum, Abdul Amir H. ; Mohamad, Abu Bakar. / Thermodynamic studies on 4-aminocoumarin tautomers. In: International Journal of Electrochemical Science. 2012 ; Vol. 7, No. 9. pp. 8468-8472.
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