Title : ( Conformation analysis, tautomerism, and vibrational assignment of 1- amino-2-keto-6-cyclohexene )
Authors: Shokooh Khavari , Sayyed Faramarz Tayyari , A.H.Pangh ,
Full TextAbstract
Theoretically, 1-amino-2-keto, 6-cyclohexene (AKC) is capable to form 18 tautomers. This compound is prepared from amination of 1,2-hexanedione. The study of AKC is useful for understanding the nature of intramolecular hydrogen bond in the amino-ketones with 5-membered chelated ring. The aim of this work is study of Tautomerism, conformational analysis, and predicting the vibrational spectra of AKC and comparing the strength of its intramolecular H-bond with that in 4-amino-pentane-2-one [1], which forms a 6-membered intramolecular H-bond.
Keywords
, DFT, vibrational assignment, 1-amino-2-keto-6-cyclohexene
@inproceedings{paperid:1024836,
author = {Shokooh Khavari and Tayyari, Sayyed Faramarz and A.H.Pangh},
title = {Conformation analysis, tautomerism, and vibrational assignment of 1- amino-2-keto-6-cyclohexene},
booktitle = {14th Iranian Physical Chemistry Conference},
year = {2011},
location = {کیش, IRAN},
keywords = {DFT; vibrational assignment; 1-amino-2-keto-6-cyclohexene},
}
%0 Conference Proceedings
%T Conformation analysis, tautomerism, and vibrational assignment of 1- amino-2-keto-6-cyclohexene
%A Shokooh Khavari
%A Tayyari, Sayyed Faramarz
%A A.H.Pangh
%J 14th Iranian Physical Chemistry Conference
%D 2011
