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Title:THE ETHANOL-CO2 DIMER IS AN ELECTRON DONOR-ACCEPTOR COMPLEX
Author(s):McGuire, Brett A.
Contributor(s):McCarthy, Michael C; Martin-Drumel, Marie-Aline
Subject(s):Clusters/Complexes
Abstract:Supercritical (sc) CO$_2$ is a common industrial solvent for the extraction of caffeine, nicotine, petrochemicals, and natural products. The ability of apolar scCO$_2$ to dissolve polar solutes is greatly enhanced by the addition of a polar co-solvent, often methanol or ethanol. Experimental and theoretical work show that methanol interactions in scCO$_2$ are predominantly hydrogen bonding, while the gas-phase complex is an electron donor-acceptor (EDA) configuration. Ethanol, meanwhile, is predicted to form EDA complexes both in scCO$_2$ and in the gas phase, but there have been no experimental measurements to support this conclusion. Here, we report a combined chirped-pulse and cavity FTMW study of the ethanol-CO$_2$ complex. Comparison with theory indicates the EDA complex is dominant under our experimental conditions. We confirm the structure with isotopic substitution, and derive a semi-experimental equilibrium structure. Our results are consistent with theoretical predictions that the linearity of the CO$_2$ subgroup is broken by the complexation interaction.
Issue Date:6/22/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/97189
DOI:10.15278/isms.2017.RH06
Date Available in IDEALS:2017-07-27


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