A molecular electron density theory study of the mechanism, chemo- and stereoselectivity of the epoxidation reaction of R -carvone with peracetic acid

The epoxidation reaction of -carvone 8 with peracetic acid 9 has been studied within the molecular electron density theory at the B3LYP/6-311(d,p) computational level. The chemo- and stereoisomeric reaction paths involving the two C-C double bonds of -carvone 8 have been studied. DFT calculations ac...

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Veröffentlicht in:	RSC advances 2019-09, Vol.9 (49), p.28500-28509
Hauptverfasser:	Zeroual, Abdellah, Ríos-Gutiérrez, Mar, Amiri, Ouafa, El Idrissi, Mohammed, Domingo, Luis R
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbonyl groups Carbonyls Chemistry Electron density Epoxidation Ethylene oxide Oxidation Peracetic acid Stereoselectivity
Online-Zugang:	Volltext
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