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Mechanistic reaction model for oxidation of sulfur mustard simulant by a catalytic system of nitrate and tribromide

TitleMechanistic reaction model for oxidation of sulfur mustard simulant by a catalytic system of nitrate and tribromide
Publication TypeJournal Article
Year of Publication2019
AuthorsLe N.H, Han Y.H, Ryu S.G, Cho J.
JournalJ Hazard Mater
Volume365
Pagination511-518
Date PublishedMar 5
ISBN Number0304-3894 (Linking)
Accession Number30466049
KeywordsCatalytic loop, Metal-free catalytic system, Reaction mechanism, Sulfoxidation, Tribromide
Abstract

A new metal-free catalytic reaction system is developed to selectively oxidize 2-chloroethyl ethyl sulfide (CEES), a surrogate of sulfur mustard. The combination of two catalytic precursors, tribromide and nitrate, allows a rapid sulfoxidation of CEES even at ambient conditions. The kinetic behaviours at various reaction conditions are investigated to identify the most probable reaction pathways of the development of catalytic loop and the overall reaction steps of CEES sulfoxidation. The mechanistic study demonstrates that the catalytic loop does not require an addition of mineral acid or water, which is common in most other reaction systems. Incomplete catalytic systems with one precursor are also examined to uncover the complex network of sulfoxidation in the catalytic reaction system. The results reveal that the complex between CEES and bromine is a reactive intermediate, bromosulfonium, which can be further catalysed and converted into sulfoxide by nitrate. Based on the proposed reaction mechanism, a predictive kinetic model fully describing most reaction behaviours is developed.

URLhttps://www.ncbi.nlm.nih.gov/pubmed/30466049
DOI10.1016/j.jhazmat.2018.11.045
Short TitleMechanistic reaction model for oxidation of sulfur mustard simulant by a catalytic system of nitrate and tribromide

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