Title : ( Conformations and Intramolecular hydrogen bonding in 3-Bromodibenzoylmethane )
Authors: S. Salemi , A-R. Nekoei , Sayyed Faramarz Tayyari , S.Z.Banihashemi ,
Full TextAbstract
The position of the keto-enol equilibrium and intramolecular hydrogen bond (IHB) strength in β-dicarbonyl compounds differ according to the electronic characteristics of the substituents, temperature and nature of the solvents [1]. 2-bromo-1,3-diphenylpropane-1,3-dione, which is also known as α-bromo-dibenzoylmethane, BrDBM, can be considered as representative example of a symmetric β-dicarbonyl. Since the DFT calculations and vibrational spectroscopy are highly sensitive methods to theoretically and experimentally examine the IHB strength, in addition to conformational analysis, we used these data as the empirical witness to study the conformations and IHB properties of BrDBM molecule. The obtained results then compare with those of dibenzoylmethane (DBM).
Keywords
, 2-bromo-1, 3-diphenylpropane-1, 3-dione;α-bromo-dibenzoylmethane;β-dicarbonyl; Intramolecular hydrogen bond; Density Functional Theory, vibrational study.
@inproceedings{paperid:1024840,
author = {S. Salemi and A-R. Nekoei and Tayyari, Sayyed Faramarz and S.Z.Banihashemi},
title = {Conformations and Intramolecular hydrogen bonding in 3-Bromodibenzoylmethane},
booktitle = {14th Iranian Physical Chemistry Conference},
year = {2011},
location = {کیش, IRAN},
keywords = {2-bromo-1;3-diphenylpropane-1;3-dione;α-bromo-dibenzoylmethane;β-dicarbonyl; Intramolecular hydrogen bond; Density Functional Theory; vibrational study.},
}
%0 Conference Proceedings
%T Conformations and Intramolecular hydrogen bonding in 3-Bromodibenzoylmethane
%A S. Salemi
%A A-R. Nekoei
%A Tayyari, Sayyed Faramarz
%A S.Z.Banihashemi
%J 14th Iranian Physical Chemistry Conference
%D 2011
