Experimental
Determination of the Electrostatic Nature
of Carbonyl Hydrogen-Bonding Interactions Using IR-NMR Correlations
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Abstract
Hydrogen-bonding
plays a fundamental role in the structure, function,
and dynamics of various chemical and biological systems. Understanding
the physical nature of interactions and the role of electrostatics
in hydrogen-bonding has been the focus of several theoretical and
computational research. We present an experimental approach involving
IR–<sup>13</sup>C NMR correlations to determine the electrostatic
nature of carbonyl hydrogen-bonding interactions. This report provides
a direct experimental evidence of the classical nature of hydrogen-bonding
interaction in carbonyls, independent of any theoretical approximation.
These results have important implications in chemistry and biology
and can be applied to probe the reaction mechanisms involving carbonyl
activation/stabilization by hydrogen bonds using spectroscopic techniques