Raman spectroscopic evidence for cooperative C-H...O interactions in the Acetaldehyde-CO2 complex

• Published in: Journal of the American Chemical Society Vol. 124; no. 50; pp. 14818 - 14819
• Main Authors: BLATCHFORD, Marc A, RAVEENDRAN, Poovathinthodiyil, WALLEN, Scott L
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 18.12.2002
• Subjects: Atomic and molecular physics; Exact sciences and technology; Molecular properties and interactions with photons; Molecular spectra; Physics; Raman and rayleigh spectra (including optical scattering); Hydrogen bonds; Molecular structure; Carbon dioxide; Theoretical study; Molecular interaction; Molecular complex; Ab initio calculations; Experimental study; Raman spectroscopy; Acetaldehyde
• ISSN: 0002-7863

In carbonyl compounds having a hydrogen atom attached to the alpha-carbon or directly to the carbonyl carbon, our recent ab initio and solvation studies have predicted the presence of a weak C-H...O interaction with CO2. This intermolecular interaction acts cooperatively with the Lewis acid-Lewis base interaction that exists between CO2 and the carbonyl group. This communication provides the first experimental evidence for this cooperative interaction in the acetaldehyde-CO2 complex using Raman spectroscopy at 25.0 degrees C in the gas phase. The implications of these interactions in the solvation of carbonyl-based CO2-philes are also discussed.