Oxidative Neutralization of Mustard-Gas Simulants in an On-Board Flow Device with In-Line NMR Monitoring

Angew Chem Int Ed Engl. 2017 Jun 19;56(26):7568-7572. doi: 10.1002/anie.201702744. Epub 2017 May 22.

Abstract

The fast and effective neutralization of the mustard-gas simulant 2-chloroethyl ethyl sulfide (CEES) using a simple and portable continuous flow device is reported. Neutralization takes place through a fully selective sulfoxidation by a stable source of hydrogen peroxide (alcoholic solution of urea-H2 O2 adduct/MeSO3 H freshly prepared). The reaction progress can be monitored with an in-line benchtop NMR spectrometer, allowing a real-time adjustment of reaction conditions. Inherent features of millireactors, that is, perfect control of mixing, heat and reaction time, allowed the neutralization of 25 g of pure CEES within 46 minutes in a 21.5 mL millireactor (tR =3.9 minutes). This device, which relies on affordable and nontoxic reagents, fits into a suitcase, and can be deployed by police/military forces directly on the attack site.

Keywords: NMR spectroscopy; chemical warfare agents; continuous flow; hydrogen peroxide; oxidation.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chemical Warfare Agents / chemistry*
  • Magnetic Resonance Spectroscopy / instrumentation*
  • Magnetic Resonance Spectroscopy / methods*
  • Mustard Gas / chemistry*
  • Oxidation-Reduction

Substances

  • Chemical Warfare Agents
  • Mustard Gas