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Title: Sub-Equimolar Hydrolysis and Condensation of Organophosphates

We characterized the in-situ hydrolysis and subsequent condensation reaction of the chemical agent simulant diethyl chlorophosphate (DECP) by high-resolution 31P NMR spectroscopy following the addition of water in sub-equimolar concentrations. Moreover, the identification and quantification of the multiple pyrophosphate and larger polyphosphate chemical species formed through a series of self-condensation reactions are reported. Finally, the DECP hydrolysis kinetics and distribution of breakdown species was strongly influenced by the water concentration and reaction temperature.
Authors:
 [1] ;  [1] ;  [1] ;  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Report Number(s):
SAND2016-4563J
Journal ID: ISSN 2365-6549; 640200
Grant/Contract Number:
AC04-94AL85000
Type:
Accepted Manuscript
Journal Name:
Chemistry Select
Additional Journal Information:
Journal Volume: 1; Journal Issue: 11; Journal ID: ISSN 2365-6549
Publisher:
Wiley
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1303156

Alam, Todd M., Kinnan, Mark K., Wilson, Brendan W., and Wheeler, David R.. Sub-Equimolar Hydrolysis and Condensation of Organophosphates. United States: N. p., Web. doi:10.1002/slct.201600498.
Alam, Todd M., Kinnan, Mark K., Wilson, Brendan W., & Wheeler, David R.. Sub-Equimolar Hydrolysis and Condensation of Organophosphates. United States. doi:10.1002/slct.201600498.
Alam, Todd M., Kinnan, Mark K., Wilson, Brendan W., and Wheeler, David R.. 2016. "Sub-Equimolar Hydrolysis and Condensation of Organophosphates". United States. doi:10.1002/slct.201600498. https://www.osti.gov/servlets/purl/1303156.
@article{osti_1303156,
title = {Sub-Equimolar Hydrolysis and Condensation of Organophosphates},
author = {Alam, Todd M. and Kinnan, Mark K. and Wilson, Brendan W. and Wheeler, David R.},
abstractNote = {We characterized the in-situ hydrolysis and subsequent condensation reaction of the chemical agent simulant diethyl chlorophosphate (DECP) by high-resolution 31P NMR spectroscopy following the addition of water in sub-equimolar concentrations. Moreover, the identification and quantification of the multiple pyrophosphate and larger polyphosphate chemical species formed through a series of self-condensation reactions are reported. Finally, the DECP hydrolysis kinetics and distribution of breakdown species was strongly influenced by the water concentration and reaction temperature.},
doi = {10.1002/slct.201600498},
journal = {Chemistry Select},
number = 11,
volume = 1,
place = {United States},
year = {2016},
month = {7}
}