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Published October 7, 2015 | Published + Supplemental Material
Journal Article Open

Hydrogen bonding in the ethanol–water dimer


We report the first rotational spectrum of the ground state of the isolated ethanol–water dimer using chirped-pulse Fourier transform microwave spectroscopy between 8–18 GHz. With the aid of isotopic substitutions, and ab initio calculations, we identify the measured conformer as a water-donor/ethanol-acceptor structure. Ethanol is found to be in the gauche conformation, while the monomer distances and orientations likely reflect a cooperation between the strong (O–H⋯O) and weak (C–H⋯O) hydrogen bonds that stabilizes the measured conformer. No other conformers were assigned in an argon expansion, confirming that this is the ground-state structure. This result is consistent with previous vibrationally-resolved Raman and infrared work, but sheds additional light on the structure, due to the specificity of rotational spectroscopy.

Additional Information

© 2015 Owner Societies. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Received 21st June 2015, Accepted 26th August 2015. First published online 26 Aug 2015. The authors acknowledge the National Science Foundation (Grant No. CHE-1214123 and the Graduate Research Fellowship Program) for financial support.

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Published - c5cp03589a.pdf

Supplemental Material - c5cp03589a1.txt


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September 15, 2023
September 15, 2023