Title of article
Theoretical Study of Hydrolysis Mechanism of Khellin
Author/Authors
F. Ati، نويسنده , , S. El-Aoufi، نويسنده , , A. Chergui، نويسنده , , H.Y. Aboul-Enein and B. Maouche، نويسنده ,
Issue Information
فصلنامه با شماره پیاپی سال 2008
Pages
8
From page
506
To page
513
Abstract
This paper describes khellin hydrolysis mechanism using semiemperical PM3 implemented in Gaussian 03 package. The calculations show that in the presence of an acidic media, an enolate molecular ion leads directly to ω-acetokhellinone while in the basic media it leads to khellinone
Keywords
Khellinone , PM3 calculation , ? Aceto khellinone , Khellin hydrolysis
Journal title
Journal of the Iranian Chemical Society (JICS)
Serial Year
2008
Journal title
Journal of the Iranian Chemical Society (JICS)
Record number
666647
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