Insights into the solvent-assisted degradation of organophosphorus compounds by a Zr-based metal–organic framework

Abstract

The degradation of a chemical warfare agent simulant using a catalytically active Zr-based metal–organic framework (MOF) as a function of different solvent systems was investigated. Complementary molecular modelling studies indicate that the differences in the degradation rates are related to the increasing size in the nucleophile, which hinders the rotation of the product molecule during degradation. Methanol was identified as an appropriate solvent for non-aqueous degradation applications and demonstrated to support the MOF-based destruction of both sarin and soman.