Correlation between Interaction Energy and Shift of the Carbonyl Stretching Frequency
Chemical Physics Letters
The shift in the C-O stretching frequency of H2CO, when interacting with Na+, Mg2+, H+, H3O+, and H2O, fits a linear correlation with the computed interaction energy. The slope of this line is such that each 1 kcal mol−1 in ΔE is associated with a frequency decrease of 2 cm−1.
Latajka, Zdzisław and Scheiner, Steve, "Correlation between Interaction Energy and Shift of the Carbonyl Stretching Frequency" (1990). Chemistry and Biochemistry Faculty Publications. Paper 568.