Water binding to the atmospheric oxidation product methyl vinyl ketone

Producción Científica

Detalles Bibliográficos
Autores: Cabezas, Carlos, Juanes San José, Marcos, Saragi, Rizalina Tama, Lesarri Gómez, Alberto Eugenio, Peña Calvo, María Isabel
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2022
País:España
Institución:Universidad de Valladolid
Repositorio:UVaDOC. Repositorio Documental de la Universidad de Valladolid
OAI Identifier:oai:uvadoc.uva.es:10324/51669
Acceso en línea:https://doi.org/10.1016/j.saa.2021.120846
https://uvadoc.uva.es/handle/10324/51669
Access Level:acceso abierto
Palabra clave:Methyl vinyl ketone
Metilvinilcetona
Atmospheric oxidation
Oxidación atmosférica
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spelling Water binding to the atmospheric oxidation product methyl vinyl ketoneCabezas, CarlosJuanes San José, MarcosSaragi, Rizalina TamaLesarri Gómez, Alberto EugenioPeña Calvo, María IsabelMethyl vinyl ketoneMetilvinilcetonaAtmospheric oxidationOxidación atmosféricaProducción CientíficaMethyl 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.Ministerio de Ciencia, Innovación y Universidades (grants PID2020-117925GA-I00 and PGC2018-098561-B-C22)Elsevier2022info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://doi.org/10.1016/j.saa.2021.120846https://uvadoc.uva.es/handle/10324/51669reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolidinstname:Universidad de ValladolidIngléshttps://www.sciencedirect.com/science/article/pii/S1386142521014232?via%3Dihubinfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0/oai:uvadoc.uva.es:10324/516692026-06-13T12:44:47Z
dc.title.none.fl_str_mv Water binding to the atmospheric oxidation product methyl vinyl ketone
title Water binding to the atmospheric oxidation product methyl vinyl ketone
spellingShingle Water binding to the atmospheric oxidation product methyl vinyl ketone
Cabezas, Carlos
Methyl vinyl ketone
Metilvinilcetona
Atmospheric oxidation
Oxidación atmosférica
title_short Water binding to the atmospheric oxidation product methyl vinyl ketone
title_full Water binding to the atmospheric oxidation product methyl vinyl ketone
title_fullStr Water binding to the atmospheric oxidation product methyl vinyl ketone
title_full_unstemmed Water binding to the atmospheric oxidation product methyl vinyl ketone
title_sort Water binding to the atmospheric oxidation product methyl vinyl ketone
dc.creator.none.fl_str_mv Cabezas, Carlos
Juanes San José, Marcos
Saragi, Rizalina Tama
Lesarri Gómez, Alberto Eugenio
Peña Calvo, María Isabel
author Cabezas, Carlos
author_facet Cabezas, Carlos
Juanes San José, Marcos
Saragi, Rizalina Tama
Lesarri Gómez, Alberto Eugenio
Peña Calvo, María Isabel
author_role author
author2 Juanes San José, Marcos
Saragi, Rizalina Tama
Lesarri Gómez, Alberto Eugenio
Peña Calvo, María Isabel
author2_role author
author
author
author
dc.subject.none.fl_str_mv Methyl vinyl ketone
Metilvinilcetona
Atmospheric oxidation
Oxidación atmosférica
topic Methyl vinyl ketone
Metilvinilcetona
Atmospheric oxidation
Oxidación atmosférica
description Producción Científica
publishDate 2022
dc.date.none.fl_str_mv 2022
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.1016/j.saa.2021.120846
https://uvadoc.uva.es/handle/10324/51669
url https://doi.org/10.1016/j.saa.2021.120846
https://uvadoc.uva.es/handle/10324/51669
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://www.sciencedirect.com/science/article/pii/S1386142521014232?via%3Dihub
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname:Universidad de Valladolid
instname_str Universidad de Valladolid
reponame_str UVaDOC. Repositorio Documental de la Universidad de Valladolid
collection UVaDOC. Repositorio Documental de la Universidad de Valladolid
repository.name.fl_str_mv
repository.mail.fl_str_mv
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