Accession Number:

ADA571342

Title:

Interactions and Binding Energies of Dimethyl Methylphosphonate and Dimethyl Chlorophosphate with Amorphous Silica

Descriptive Note:

Journal article

Corporate Author:

VIRGINIA POLYTECHNIC INST AND STATE UNIV BLACKSBURG DEPT OF CHEMISTRY

Report Date:

2012-07-10

Pagination or Media Count:

9.0

Abstract:

The fundamental interactions of dimethyl methylphosphonate DMMP and dimethyl chlorophosphate DMCP on amorphous silica nanoparticles have been investigated with transmission infrared spectroscopy and temperature-programmed desorption TPD. DMMP and DMCP both adsorb molecularly to silica through the formation of hydrogen bonds between isolated silanols and the phosphoryl oxygen of the adsorbate. The magnitude of the shift of the OH mode upon simulant adsorption is correlated to the adsorption strength. The activation energies for desorption for a single DMMP or DMCP molecule from amorphous silica varied with coverage. In the limit of zero coverage, after the effects of defects were excluded, the activation energies were 54.5 plusminus 0.3 and 48.4 plusminus 1.0 kJmol for DMMP and DMCP, respectively.

Subject Categories:

  • Organic Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE