Catalyst development and mechanistic study of the decontamination of chemical warfare agents (CWA), remains a central goal within the scientific community. Hydrolysis of the CWA simulant, methyl paraoxon, by the Zr-containing polyoxometalate (POM) catalyst, (Et2NH2)8[{α-PW11O39Zr(μ-OH)(H2O)}2]●7H2O, is reported. The effect of pH, ionic strength, catalyst concentration, and substrate concentration on the rate of hydrolysis are examined. Due to the formation of an acid hydrolysis product, acetic acid/acetate buffer is used to successfully maintain constant pH throughout catalysis. Kinetic studies and 31P NMR data uncover that acetate is non-innocent in the reaction, instead enhancing the rate of hydrolysis. In contrast, monobasic sodium phosphate under the same conditions shuts down hydrolysis altogether.

Hydrolysis of a chemical warfare agent simulant by a Zr-containing polyoxometalate: Rate enhancement in the presence of acetate buffer

254th National Meeting (2017)

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