Title : ( Cis-enol conformational stability, Molecular structure, and intramolecular hydrogen bonding of 5,5-Dimethyl hexane-2,4 dione. A density functional theoretical study )
Authors: Mohamad Vakili ,
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Abstract
The comparison of some vibrational frequencies like OH, OH and aC=CC=O mode and the calculated geometrical parameters confirm that substitution of t-But in positions with the CH3 group increase the IHB strength of the hydrogen bond.
Keywords
, 5, 5-Dimethyl hexane-2, 4dione; -Diketone; Conformational analysis; Intramolecular hydrogen bond; Density Functional Theory
@inproceedings{paperid:1038222,
author = {Vakili, Mohamad},
title = {Cis-enol conformational stability, Molecular structure, and intramolecular hydrogen bonding of 5,5-Dimethyl hexane-2,4 dione. A density functional theoretical study},
booktitle = {13th Iranian Physical Chemistry Conference},
year = {2010},
location = {شیراز, IRAN},
keywords = {5;5-Dimethyl hexane-2;4dione; -Diketone; Conformational analysis; Intramolecular hydrogen bond; Density
Functional Theory},
}
%0 Conference Proceedings
%T Cis-enol conformational stability, Molecular structure, and intramolecular hydrogen bonding of 5,5-Dimethyl hexane-2,4 dione. A density functional theoretical study
%A Vakili, Mohamad
%J 13th Iranian Physical Chemistry Conference
%D 2010
