Hydrogen bonding in the ethanol-water dimer

Physical Chemistry Chemical Physics : PCCP
Ian A FinneranGeoffrey A Blake

Abstract

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-HO) and weak (C-HO) 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.

References

Jan 11, 2005·The Journal of Chemical Physics·Vincenzo Barone
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Jun 3, 2008·The Review of Scientific Instruments·Gordon G BrownBrooks H Pate
Jun 24, 2008·The Journal of Physical Chemistry. B·R Kumar, J L Skinner
Apr 15, 2011·Physical Chemistry Chemical Physics : PCCP·Marija NedićMartin A Suhm
Sep 7, 2013·The Review of Scientific Instruments·Ian A FinneranGeoffrey A Blake

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Citations

Jul 30, 2016·Physical Chemistry Chemical Physics : PCCP·Ian A FinneranGeoffrey A Blake
Dec 6, 2016·Physical Chemistry Chemical Physics : PCCP·Luca EvangelistiGeoffrey A Blake
Nov 20, 2018·Physical Chemistry Chemical Physics : PCCP·Marcos JuanesWalther Caminati
Jan 25, 2019·Physical Chemistry Chemical Physics : PCCP·Donatella LoruM Eugenia Sanz
Feb 28, 2020·Physical Chemistry Chemical Physics : PCCP·Susana BlancoAssimo Maris
Apr 30, 2017·Physical Chemistry Chemical Physics : PCCP·Wenyuan HuangYunjie Xu
Feb 16, 2018·Chemistry : a European Journal·Marcos JuanesMartín Jaraíz
Jan 14, 2021·Physical Chemistry Chemical Physics : PCCP·Elias M Neeman, Thérèse R Huet
Jun 24, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Luca EvangelistiWalther Caminati
Jul 10, 2021·The Journal of Chemical Physics·Huan ZhangMaría C Gutiérrez
Aug 12, 2021·The Journal of Physical Chemistry. a·Sharon Priya Gnanasekar, Elangannan Arunan

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