2026-05-05T10:51:48Zhttps://uvadoc.uva.es/oai/request
oai:uvadoc.uva.es:10324/516692022-01-24T21:46:53Zcom_10324_1186com_10324_931com_10324_894col_10324_1404
UVaDOC author Cabezas, Carlos author Juanes San José, Marcos author Saragi, Rizalina Tama author Lesarri Gómez, Alberto Eugenio author Peña Calvo, María Isabel 2022-01-24T10:23:28Z 2022-01-24T10:23:28Z 2022 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2022, vol. 270, 120846 1386-1425 https://uvadoc.uva.es/handle/10324/51669 10.1016/j.saa.2021.120846 Methyl vinyl ketone is one of the major oxidation products of isoprene, and therefore, an important precursor of secondary organic aerosol. Understanding its interactions with water is relevant to gain insight into aerosol formation and improve the predictive power of atmospheric chemistry models. The molecular complex formed between methyl vinyl ketone and water has been generated in a supersonic jet and characterized using high-resolution microwave spectroscopy in combination with quantum chemistry calculations. In this study, we show that methyl vinyl ketone interacts with water forming four 1:1 isomers connected by O − H···O and C − H···O hydrogen bond interactions. Water has been found to preferentially bind to the antiperiplanar conformation of methyl vinyl ketone. Evidence of a large amplitude motion arising from the methyl internal rotation has been found in the rotational spectra of the dimer. The threefold methyl internal rotation barrier heights have been further determined and discussed for all the species. eng Attribution-NonCommercial-NoDerivatives 4.0 Internacional Water binding to the atmospheric oxidation product methyl vinyl ketone info:eu-repo/semantics/article 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URL https://uvadoc.uva.es/bitstream/10324/51669/1/Water-binding-to-atmospheric-oxidation.pdf File MD5 fe18eba1f09f1fd1120b284daf225b82 958945 application/pdf Water-binding-to-atmospheric-oxidation.pdf