Atomic-Level Structural Dynamics of Polyoxoniobates during DMMP Decomposition.

ABSTRACT: Ambient pressure in situ synchrotron-based spectroscopic techniques have been correlated to illuminate atomic-level details of bond breaking and formation during the hydrolysis of a chemical warfare nerve agent simulant over a polyoxometalate catalyst. Specifically, a Cs₈[Nb₆O₁₉] polyoxoniobate catalyst has been shown to react readily with dimethyl methylphosphonate (DMMP). The atomic-level transformations of all reactant moieties, the [Nb₆O₁₉]^8- polyanion, its Cs⁺ counterions, and the DMMP substrate, were tracked under ambient conditions by a combination of X-ray absorption fine structure spectroscopy, Raman spectroscopy, and X-ray diffraction. Results reveal that the reaction mechanism follows general base (in c

SUBMITTER: Wang Q 

PROVIDER: S-EPMC5429595 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature