2026-04-27T20:15:18Zhttps://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/731762025-01-30T08:23:25Zcom_10324_1186com_10324_931com_10324_894col_10324_1404
UVaDOC
author
Pinacho Morante, Pablo
author
López Alonso, Juan Carlos
author
Kisiel, Zbigniew
author
Blanco Rodríguez, Susana
2025-01-08T14:47:35Z
2025-01-08T14:47:35Z
2020
Physical Chemistry Chemical Physics, Agosto 2020, 22, 18351-18360
1463-9076
https://uvadoc.uva.es/handle/10324/73176
10.1039/D0CP03093G
18351
33
18360
Physical Chemistry Chemical Physics
22
1463-9084
Microsolvated complexes of ethyl carbamate (urethane) with up to three water molecules formed in a supersonic expansion have been characterized by high-resolution microwave spectroscopy. Both chirped-pulse and cavity Fourier transform microwave spectrometers covering the 2–13 GHz frequency range have been used. The structures of the complexes have been characterized and show water molecules closing sequential cycles through hydrogen bonding with the amide group. As is the case in the monomer, the ethyl carbamate–water complexes exhibit a conformational equilibrium between two conformers close in energy. The interconversion barrier between both forms has been studied by analyzing the spectra obtained using different carrier gas in the expansion. Complexation of ethyl carbamate with water molecules does not appear to significantly alter the potential energy function for the interconversion between the two conformations of ethyl carbamate.
eng
Microsolvation of ethyl carbamate conformers: effect of carrier gas on the formation of complexes
info:eu-repo/semantics/article
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URL
https://uvadoc.uva.es/bitstream/10324/73176/1/ecb-w-PCCP_art_CP-ART-06-2020-003093_2020-07-27.pdf
File
MD5
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application/pdf
ecb-w-PCCP_art_CP-ART-06-2020-003093_2020-07-27.pdf