Title : ( Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions )
Authors: Mohamad Vakili , mohtaram bayat mokhtary , Raheleh Afzali ,
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Abstract
,-unsaturated--ketoamines are capable of forming an N-H…O asymmetric intramolecular hydrogen bond. The 4-amino-3-penten-2-one has an N-H…O intramolecular hydrogen bond. Furthermore this compound is capable of forming tautomeric equilibria between ketoamines, ketoimine, and enolimine. APO has been studied experimentally and theoretically by DFT calculations. The results of calculations show that APO has a relatively strong intramolecular hydrogen bond with a N…O distance of 5.658 A°.
Keywords
, 4-phenyliamino-3-penten-2-one , intramolecular hydrogen bonding , 4-amino-3-penten-2-one, Density functional Theory
@inproceedings{paperid:1038639,
author = {Vakili, Mohamad and Bayat Mokhtary, Mohtaram and Afzali, Raheleh},
title = {Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions},
booktitle = {15th Iranian Physical Chemistry Conference},
year = {2012},
location = {تهران, IRAN},
keywords = {4-phenyliamino-3-penten-2-one ; intramolecular hydrogen bonding ; 4-amino-3-penten-2-one; Density functional Theory},
}
%0 Conference Proceedings
%T Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions
%A Vakili, Mohamad
%A Bayat Mokhtary, Mohtaram
%A Afzali, Raheleh
%J 15th Iranian Physical Chemistry Conference
%D 2012
