Article
Correlation between Interaction Energy and Shift of the Carbonyl Stretching Frequency
Chemical Physics Letters
(1990)
Abstract
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.
Keywords
- Correlation,
- interaction,
- energy,
- shift,
- carbonyl,
- stretching,
- frequency
Disciplines
Publication Date
1990
Citation Information
Zdzisław Latajka and Steve Scheiner. "Correlation between Interaction Energy and Shift of the Carbonyl Stretching Frequency" Chemical Physics Letters Vol. 174 (1990) Available at: http://works.bepress.com/steve_scheiner/277/