Journal article
Photolysis of 3-Nitro-1,2,4-triazol-5-one: Mechanisms and Products
ACS ES&T water, Vol.3(3), pp.783-792
02/02/2023
DOI: 10.1021/acsestwater.2c00567
PMCID: PMC10012174
PMID: 36936519
Appears in UI Libraries Support Open Access
Abstract
Insensitive munitions formulations that include 3nitro-1,2,4-triazol-5-one (NTO) are replacing traditional explosive compounds. While these new formulations have superior safety characteristics, the compounds have greater environmental mobility, raising concern over potential contamination and cleanup of training and manufacturing facilities. Here, we examine the mechanisms and products of NTO photolysis in simulated sunlight to further inform NTO degradation in sunlit surface waters. We demonstrate that NTO produces singlet oxygen and that dissolved oxygen increases the NTO photolysis rate in deionized water. The rate of NTO photolysis is independent of concentration and decreases slightly in the presence of Suwannee River Natural Organic Matter. The apparent quantum yield of NTO generally decreases as pH increases, ranging from 2.0 x 10(-5) at pH 12 to 1.3 x 10(-3) at pH 2. Bimolecular reaction rate constants for NTO with singlet oxygen and hydroxyl radical were measured to be (1.95 +/- 0.15) x 10(6) and (3.28 +/- 0.23) x 1010 M-1 s(-1), respectively. Major photolysis reaction products were ammonium, nitrite, and nitrate, with nitrite produced in nearly stoichiometric yield upon the reaction of NTO with singlet oxygen. Environmental half-lives are predicted to span from 1.1 to 5.7 days. Taken together, these data enhance our understanding of NTO photolysis under environmentally relevant conditions.
Details
- Title: Subtitle
- Photolysis of 3-Nitro-1,2,4-triazol-5-one: Mechanisms and Products
- Creators
- Hunter W. Schroer - University of IowaEsteban Londono - University of IowaXueshu Li - University of IowaHans-Joachim Lehmler - University of IowaWilliam Arnold - University of MinnesotaCraig L. Just - University of Iowa
- Resource Type
- Journal article
- Publication Details
- ACS ES&T water, Vol.3(3), pp.783-792
- DOI
- 10.1021/acsestwater.2c00567
- PMID
- 36936519
- PMCID
- PMC10012174
- NLM abbreviation
- ACS ES T Water
- ISSN
- 2690-0637
- eISSN
- 2690-0637
- Publisher
- American Chemical Society
- Number of pages
- 10
- Grant note
- 000390183 / NSF Graduate Research Fellowship; National Science Foundation (NSF) University of Iowa P30 ES005605 / Water Sustainability Initiative at the University of Iowa National Institute of Environmental Health Sciences/National Institutes of Health; United States Department of Health & Human Services; National Institutes of Health (NIH) - USA; NIH National Institute of Environmental Health Sciences (NIEHS)
- Language
- English
- Date published
- 02/02/2023
- Academic Unit
- Civil and Environmental Engineering; Occupational and Environmental Health; Iowa Neuroscience Institute; IIHR--Hydroscience and Engineering
- Record Identifier
- 9984378331302771
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