Heme-Containing Metal-Organic Frameworks for the Oxidative Degradation of Chemical Warfare Agents
Abstract
The objective of this effort is to synthesize and study heme-containing metal-organic framework (MOF) materials for the oxidative degradation of small molecules. This STIR effort will explore the proof-of-concept of using heme-containing MOFs to oxidatively degrade small molecules including chemical warfare agents and simulants. Both solution- and gas-phase studies will be carried out with simulants including dimethylmethylphosphonate, diethylemthylthiphosphonate, and diethyl-3-(dimethylamino)propylphosphonate. Solution-phase experiments will be aimed at understanding the reactive intermediates. Oxo- and peroxo- intermediates will be generated by a variety of reagents. The resulting complexes will be characterized by Mossbauer, EPR, diffuse reflectance UV-Vis, and IR. Degradation reactions will be carried out with the heme-based MOF scaffolds and a variety of reagent combinations (reductant, acid, O2, or H2O2), and will be monitored by NMR, GC, and other analytical techniques to determine chemoselectivity as well as turnover and efficiency of the catalyst. Gas-phase studies will be carried out, and similar to the solution-phase studies, initial investigations will focus on the generation and characterization of high valent oxo- or peroxo-intermediates. Degradation studies will be carried out, and pressures of reagents will be varied. Green reagents such as O2 and H2 will be explored.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jan 12, 2017
- Source ID
- W911NF1510119
Entities
People
- Thomas Harris
Organizations
- Army Contracting Command
- Northwestern University
- United States Army