Correlation between Interaction Energy and Shift of the Carbonyl Stretching Frequency

Authors

Zdzisław Latajka
Steve Scheiner, utah state universityFollow

Document Type

Article

Journal/Book Title

Chemical Physics Letters

Publication Date

11-1990

Publisher

Elsevier

Volume

174

Issue

2

First Page

179

Last Page

184

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.

Recommended Citation

Latajka, Zdzisław and Scheiner, Steve, "Correlation between Interaction Energy and Shift of the Carbonyl Stretching Frequency" (1990). Chemistry and Biochemistry Faculty Publications. Paper 568.
https://digitalcommons.usu.edu/chem_facpub/568