AI Article Synopsis
- Atmospheric iodine chemistry is crucial for understanding tropospheric ozone destruction, new particle formation, and elemental mercury sinks.
- The reaction between ozone and iodide at the ocean's surface is suspected to significantly impact atmospheric ozone levels, but the mechanism behind this reaction remains unclear.
- This paper aims to clarify this mechanism through an ab initio study, analyzing thermodynamic data and the key IOOO(-) intermediate's structures and energetics for the first time.
Article Abstract
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 the 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 a mechanism. In this paper, an ab initio study of the reaction of aqueous iodide and ozone is presented, 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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| http://dx.doi.org/10.1039/c5cp06440f | DOI Listing |
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