2026-04-26T20:24:46Zhttps://uvadoc.uva.es/oai/request

oai:uvadoc.uva.es:10324/731762025-01-30T08:23:25Zcom_10324_1186com_10324_931com_10324_894col_10324_1404

Pinacho Morante, Pablo López Alonso, Juan Carlos Kisiel, Zbigniew 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. Ministerio de Economía y Competitividad (Grant CTQ2016-75253-P) Junta de Castilla y León (Grant VA334U14) application/pdf eng info:eu-repo/semantics/openAccess Microsolvation of ethyl carbamate conformers: effect of carrier gas on the formation of complexes info:eu-repo/semantics/article info:eu-repo/semantics/submittedVersion https://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp03093g SI