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...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2016 |
| País: | España |
| Institución: | Universidad de Castilla-La Mancha |
| Repositorio: | RUIdeRA. Repositorio Institucional de la UCLM |
| OAI Identifier: | oai:ruidera.uclm.es:10578/18831 |
| Acceso en línea: | http://hdl.handle.net/10578/18831 |
| Access Level: | acceso abierto |
| Palabra clave: | Ozono Ozone Yoduro acuoso Aqueous iodide Reaciones quimicas Chemical reactions |
| Sumario: | 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. |
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