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Chirped pulse Fourier-transform microwave spectroscopy of alcohol and water tetramers

Dutton, S. E. and Mastin, E. M. and Blake, G. A. (2023) Chirped pulse Fourier-transform microwave spectroscopy of alcohol and water tetramers. Physical Chemistry Chemical Physics, 25 (8). pp. 5960-5966. ISSN 1463-9076. doi:10.1039/d2cp05022f.

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In an effort to build towards quantitative models of alcohol:water microaggregation in liquid mixtures, the present works characterizes the energy landscape and structures of pure ethanol and mixed ethanol:water tetramers using Chirped Pulse Fourier-transform Microwave spectroscopy. Many conformers of each type of tetramer are available, and those with sufficiently strong dipole moments are experimentally examined. This analysis considers, but does not explicitly fit, the splitting of rotational states due to internal rotation of the methyl groups present, as well as utilizes isotopic substitution experiments to verify the conformer variations observed. Implications of the listed results include a suggestion of the stability of micro-aggregated structures as opposed to homogeneously mixed clusters, informing future work on characterization of larger clusters and any potential modeling of the hydrogen bond network at play.

Item Type:Article
Related URLs:
URLURL TypeDescription
Dutton, S. E.0000-0002-9587-5971
Mastin, E. M.0000-0002-0465-6037
Blake, G. A.0000-0003-0787-1610
Additional Information:The authors gratefully acknowledge support from the NSF CSDM-A program (Grant CHE-1665467) and the NASA Laboratory Astrophysics program (Grant NNX-16AC75G). SED is supported by the National Science Foundation Graduate Research Fellowship Program (Grant DGE-1745301). Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation.
Group:Division of Geological and Planetary Sciences
Funding AgencyGrant Number
NSF Graduate Research FellowshipDGE-1745301
Issue or Number:8
Record Number:CaltechAUTHORS:20230126-828355500.1
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:118960
Deposited By: Tony Diaz
Deposited On:27 Jan 2023 18:43
Last Modified:09 Mar 2023 20:48

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