Issue 11, 2022

Infrared spectroscopy of 2-oxo-octanoic acid in multiple phases

Abstract

Alpha-keto acids are environmentally and biologically relevant species whose chemistry has been shown to be influenced by their local environment. Vibrational spectroscopy provides useful ways to probe the potential inter- and intramolecular interactions available to them in several phases. We measure and compare the IR spectra of 2-oxo-octanoic acid (2OOA) in the gas phase, solid phase, and at the air–water interface. With theoretical support, we assign many of the vibrational modes in each of the spectra. In the gas phase, two types of conformers are identified and distinguished, with the intramolecularly H-bonded form being the dominant type, while the second conformer type identified does not have an intramolecular hydrogen bond. The van der Waals interactions between molecules in solid 2OOA manifest C–H and C[double bond, length as m-dash]O vibrations lower in energy than in the gas phase and we propose an intermolecular hydrogen bonding scheme for the solid phase. At the air–water interface the hydrocarbon tails of 2OOA do interact with each other while the carbonyls appear to interact with water in the subphase, but not with neighboring 2OOA as might be expected of a closely packed surfactant film.

Graphical abstract: Infrared spectroscopy of 2-oxo-octanoic acid in multiple phases

Supplementary files

Article information

Article type
Paper
Submitted
22 Nov 2021
Accepted
21 Feb 2022
First published
25 Feb 2022

Phys. Chem. Chem. Phys., 2022,24, 6757-6768

Author version available

Infrared spectroscopy of 2-oxo-octanoic acid in multiple phases

K. Kappes, B. N. Frandsen and V. Vaida, Phys. Chem. Chem. Phys., 2022, 24, 6757 DOI: 10.1039/D1CP05345K

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