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

Journal Article · · Dalton Transactions
DOI:https://doi.org/10.1039/C9DT03710A· OSTI ID:1574483
 [1];  [1];  [2];  [2];  [2];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. Army Research, Aberdeen, MD (United States)
+ Show Author Affiliations

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 explored here. Complementary molecular modelling studies suggest 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.

Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
AC04-94AL85000; NA0003525
OSTI ID:
1574483
Alternate ID(s):
OSTI ID: 1570783
Report Number(s):
SAND--2019-12693J; 680530
Journal Information:
Dalton Transactions, Journal Name: Dalton Transactions Journal Issue: 43 Vol. 48; ISSN 1477-9226; ISSN ICHBD9
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English

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Figures / Tables (20)

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Figure S1(p. 9)figure Figure S1
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Table S1(p. 13)table Table S1
Table S2(p. 13)table Table S2
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Table S3(p. 24)table Table S3
Figure S13(p. 25)figure Figure S13

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY