%0 Journal Article
	%A S. Heydarian
	%D 2011
	%J International Journal of Chemical and Molecular Engineering
	%B World Academy of Science, Engineering and Technology
	%I Open Science Index 57, 2011
	%T Atoms in Molecules, An Other Method For Analyzing Dibenzoylmethane
	%U https://publications.waset.org/pdf/15514
	%V 57
	%X Proton transfer and hydrogen bonding are two aspects
of the chemistry of hydrogen that respectively govern the behaviour
and structure of many molecules, both simple and complex. All the
theoretical enol and keto conformations of 1,3-diphenyl-1,3-
propandion known as dibenzoylmethane (DBM), have been
investigated by means of atoms in molecules (AIM) theory. It was
found that the most stable conformers are those stabilized by
hydrogen bridges.The aim of the present paper is a thorough
conformational analysis of DBM (with special attention on chelated
cis-enol conformers) in order to obtain detailed information on the
geometrical parameters, relative stabilities and rotational motion of
the phenyl groups. It is also important to estimate the barrier height
for ptoton transfer and hydrogen bond strength, which are the main
factors governing conformational stability.
	%P 805 - 808