T. Suda et al., CORRELATION OF THE FRONTIER ORBITAL PROPERTIES OF ALKANOLAMINES WITH THE EXPERIMENTAL CO2 LOADING, Chemistry Letters, (2), 1998, pp. 189-190
The HOMO energy and the superdelocalizability for the most stable conf
ormation of 18 kinds of alkanolamines plotted against experimentally m
easured absorption loading of CO2 in an aqueous amine solution showed
a good linear relationship for the usual secondary and tertiary amines
, indicating that the frontier orbital properties of these amines appe
ar to be predominant for the amine-CO2 reaction.