The quantum chemical study of the mechanism of the epoxidation reaction of limonene and geraniol with peracetic and perbenzoic acids

Aim. To compare the mechanism of the epoxidation reaction of terpenes Geraniol and Limonene with peracetic acid and perbenzoic acid based on the quantum chemical study. Materials and methods. For the calculation the density functional theory (approximation UBH & HLYP/6-31G (d) Gaussian 09) meth...

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Bibliographic Details
Main Authors: O. M. Agafonov, S. I. Okovytyy, M. Ye. Blazheyevskiy
Format: Artigo
Language:Inglês
Published: National University of Pharmacy (Kharkiv, Ukraine) 2019-02-01
Series:Журнал органічної та фармацевтичної хімії
Subjects:
terpenes
geraniol
limonene
quantum-chemical studies
epoxidation mechanism
peroxy acid
Online Access:http://ophcj.nuph.edu.ua/article/view/ophcj.19.963/159132
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