Sub-Equimolar Hydrolysis and Condensation of Organophosphates

Alam, Todd M.; Kinnan, Mark K.; Wilson, Brendan W.; Wheeler, David R.

doi:10.1002/slct.201600498

Title: Sub-Equimolar Hydrolysis and Condensation of Organophosphates

Journal Article · Sat Jul 16 00:00:00 EDT 2016 · Chemistry Select

DOI: https://doi.org/10.1002/slct.201600498 · OSTI ID:1303156

Alam, Todd M. ^[1]; Kinnan, Mark K. ^[1]; Wilson, Brendan W. ^[1]; Wheeler, David R. ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

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.

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Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1303156

Report Number(s):: SAND2016--4563J; 640200

Journal Information:: Chemistry Select, Journal Name: Chemistry Select Journal Issue: 11 Vol. 1; ISSN 2365-6549

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Challenges in Fluorescence Detection of Chemical Warfare Agent Vapors Using Solid‐State Films Fan, Shengqiang; Zhang, Guanran; Dennison, Genevieve H. Advanced Materials, Vol. 32, Issue 18 https://doi.org/10.1002/adma.201905785	journal	November 2019
Coordination‐Cage‐Catalysed Hydrolysis of Organophosphates: Cavity‐ or Surface‐Based? Taylor, Christopher G. P.; Metherell, Alexander J.; Argent, Stephen P. Chemistry – A European Journal, Vol. 26, Issue 14 https://doi.org/10.1002/chem.201904708	journal	February 2020
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Spectroscopic and inclusion properties of G-series chemical warfare agents and their simulants: a DFT study Sambrook, Mark R.; Gass, Ian A.; Cragg, Peter J. Supramolecular Chemistry, Vol. 30, Issue 3 https://doi.org/10.1080/10610278.2017.1401074	journal	November 2017
Spectroscopic and inclusion properties of G-series chemical warfare agents and their simulants: a DFT study Sambrook, Mark R.; Gass, Ian A.; Cragg, Peter J. Taylor & Francis https://doi.org/10.6084/m9.figshare.5594281	text	January 2017
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