Theoretical study of the intramolecular proton transfer and calculation of the nucleus independent chemical shift in juglone and some of its derivatives

Theoretical study of the intramolecular proton transfer and calculation of the nucleus independent chemical shift in juglone and some of its derivatives

In the present study, first, the intramolecular proton transfer (IPT) process of juglone and its derivatives were theoretically investigated in the gas phase and the effect of electron-withdrawing and electron-releasing substituents in different positions of the phenyl and benzoquinone rings of jugl...

Full description

Bibliographic Details
Main Authors: ESMAIL VESSALLY, EHSAN FEREYDUNI, MAHDI KAMAEE, SHAHRAM MORADI
Format: Article
Language:English
Published: Serbian Chemical Society 2011-06-01
Series:Journal of the Serbian Chemical Society
Subjects:
juglone
NICS
aromaticity
intramolecular proton transfer
DFT.
Online Access:http://www.shd.org.rs/JSCS/Vol76/No6/08_4895_4168.pdf

Similar Items

Similar Items