Investigating the Hydrolysis Reactions of a Chemical Warfare Agent Surrogate. A Systematic Study using ¹H, ¹³C, ¹⁷O, ¹⁹F, ³¹P, and ³⁵Cl NMR Spectroscopy

Technical Report · Fri Jul 24 00:00:00 EDT 2015

DOI:https://doi.org/10.2172/1211578· OSTI ID:1211578

Alam, Todd M. ^[1]; Wilson, Brendan W. ^[2]

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1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2. West Virginia Univ., Morgantown, WV (United States)

During the summer of 2015, I participated in the DHS HS-STEM fellowship at Sandia National Laboratories (SNL, NM) under the supervision of Dr. Todd M. Alam in his Nuclear Magnetic Resonance (NMR) Spectroscopy research group. While with the group, my main project involved pursing various hydrolysis reactions with Diethyl Chlorophosphate (DECP), a surrogate for the agent Sarin (GB). Specifically, I performed different hydrolysis reactions, monitored and tracked the different phosphorous containing species using phosphorous (³¹P) NMR spectroscopy. With the data collected, I performed kinetics studies mapping the rates of DECP hydrolysis. I also used the NMR of different nuclei such as ¹H, ¹³C, ¹⁷O, and ³⁵Cl to help understand the complexity of the reactions that take place. Finally, my last task at SNL was to work with Insensitive Nuclei Enhanced by Polarization Transfer (INEPT) NMR Spectroscopy optimizing conditions for ¹⁹F- ³¹P filtering NMR experiments.

• Research Organization: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
• Sponsoring Organization: USDOE
• Contributing Organization: Department of Homeland Security (DHS), Washington, DC (United States)
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 1211578
• Report Number(s): SAND2015-6756R; 598876
• Country of Publication: United States
• Language: English