A theoretical study on the reaction of ozone with aqueous iodide

Atmospheric iodine chemistry plays a key role in tropospheric ozone catalytic destruction, new particle formation, and as one of the possible sinks of gaseous polar elemental mercury. Moreover, it has been recently proposed that reaction of ozone with iodide on sea surface could be the major contrib...

ver descrição completa

Detalhes bibliográficos
Autores: Gálvez González, Óscar, Baeza Romero, María Teresa, Sanz Monasterio, Mikel, Pacios, Luis F.
Formato: artículo
Fecha de publicación:2016
País:España
Recursos:Universidad de Castilla-La Mancha
Repositorio:RUIdeRA. Repositorio Institucional de la UCLM
OAI Identifier:oai:ruidera.uclm.es:10578/18831
Acesso em linha:http://hdl.handle.net/10578/18831
Access Level:acceso abierto
Palavra-chave:Ozono
Ozone
Yoduro acuoso
Aqueous iodide
Reaciones quimicas
Chemical reactions
id ES_0be30a6c60f40c5d5e1e2ead7fed77cb
oai_identifier_str oai:ruidera.uclm.es:10578/18831
network_acronym_str ES
network_name_str España
repository_id_str
spelling A theoretical study on the reaction of ozone with aqueous iodideGálvez González, ÓscarBaeza Romero, María TeresaSanz Monasterio, MikelPacios, Luis F.OzonoOzoneYoduro acuosoAqueous iodideReaciones quimicasChemical reactionsAtmospheric iodine chemistry plays a key role in tropospheric ozone catalytic destruction, new particle formation, and as one of the possible sinks of gaseous polar elemental mercury. Moreover, it has been recently proposed that reaction of ozone with iodide on sea surface could be the major contributor to the chemical loss of atmospheric ozone. However, the mechanism of the reaction between aqueous iodide and ozone is not well known. The aim of this paper is to improve the understanding of such mechanism. In this paper, it is presented an ab initio study of the reaction of aqueous iodide and ozone, evaluating thermodynamic data of the different reactions proposed in previous experimental studies. In addition, the structures, energetics and possible evolution of the key IOOO- intermediate are discussed for the first time.Royal Society Chemistry201820182016info:eu-repo/semantics/articletext/plainapplication/pdfhttp://hdl.handle.net/10578/18831reponame:RUIdeRA. Repositorio Institucional de la UCLMinstname:Universidad de Castilla-La ManchaInglésinfo:eu-repo/semantics/openAccessoai:ruidera.uclm.es:10578/188312026-05-27T07:36:41Z
dc.title.none.fl_str_mv A theoretical study on the reaction of ozone with aqueous iodide
title A theoretical study on the reaction of ozone with aqueous iodide
spellingShingle A theoretical study on the reaction of ozone with aqueous iodide
Gálvez González, Óscar
Ozono
Ozone
Yoduro acuoso
Aqueous iodide
Reaciones quimicas
Chemical reactions
title_short A theoretical study on the reaction of ozone with aqueous iodide
title_full A theoretical study on the reaction of ozone with aqueous iodide
title_fullStr A theoretical study on the reaction of ozone with aqueous iodide
title_full_unstemmed A theoretical study on the reaction of ozone with aqueous iodide
title_sort A theoretical study on the reaction of ozone with aqueous iodide
dc.creator.none.fl_str_mv Gálvez González, Óscar
Baeza Romero, María Teresa
Sanz Monasterio, Mikel
Pacios, Luis F.
author Gálvez González, Óscar
author_facet Gálvez González, Óscar
Baeza Romero, María Teresa
Sanz Monasterio, Mikel
Pacios, Luis F.
author_role author
author2 Baeza Romero, María Teresa
Sanz Monasterio, Mikel
Pacios, Luis F.
author2_role author
author
author
dc.subject.none.fl_str_mv Ozono
Ozone
Yoduro acuoso
Aqueous iodide
Reaciones quimicas
Chemical reactions
topic Ozono
Ozone
Yoduro acuoso
Aqueous iodide
Reaciones quimicas
Chemical reactions
description Atmospheric iodine chemistry plays a key role in tropospheric ozone catalytic destruction, new particle formation, and as one of the possible sinks of gaseous polar elemental mercury. Moreover, it has been recently proposed that reaction of ozone with iodide on sea surface could be the major contributor to the chemical loss of atmospheric ozone. However, the mechanism of the reaction between aqueous iodide and ozone is not well known. The aim of this paper is to improve the understanding of such mechanism. In this paper, it is presented an ab initio study of the reaction of aqueous iodide and ozone, evaluating thermodynamic data of the different reactions proposed in previous experimental studies. In addition, the structures, energetics and possible evolution of the key IOOO- intermediate are discussed for the first time.
publishDate 2016
dc.date.none.fl_str_mv 2016
2018
2018
dc.type.none.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10578/18831
url http://hdl.handle.net/10578/18831
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/plain
application/pdf
dc.publisher.none.fl_str_mv Royal Society Chemistry
publisher.none.fl_str_mv Royal Society Chemistry
dc.source.none.fl_str_mv reponame:RUIdeRA. Repositorio Institucional de la UCLM
instname:Universidad de Castilla-La Mancha
instname_str Universidad de Castilla-La Mancha
reponame_str RUIdeRA. Repositorio Institucional de la UCLM
collection RUIdeRA. Repositorio Institucional de la UCLM
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869403253231321088
score 15.198674

Registos relacionados