화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.106, No.22, 5517-5520, 2002
Short strong hydrogen bonds: A valence bond analysis
Short strong hydrogen bonds are modeled with two resonating bonding structures issued from a valence bond analysis. A formula giving the bond dissociation energy as a function of the difference in proton affinities (DeltaPA) is demonstrated. This equation is expanded in Taylor series and compared to similar equations found in the literature. It is found that the correlations either from experimental data or derived from the Marcus equation can be justified by the same valence bond arguments.