Role of molecular singlet oxygen in photochemical degradation of NTO: DFT study

LK Sviatenko, L Gorb, J Leszczynski - The Journal of Physical …, 2023 - ACS Publications
NTO (5-nitro-1, 2, 4-triazol-3-one), an energetic material used in military applications, may
be released to the environment and dissolved in surface water and groundwater due to its …

Photolysis of 3-nitro-1, 2, 4-triazol-5-one: Mechanisms and products

HW Schroer, E Londono, X Li, HJ Lehmler… - ACS Es&t …, 2023 - ACS Publications
Insensitive munitions formulations that include 3-nitro-1, 2, 4-triazol-5-one (NTO) are
replacing traditional explosive compounds. While these new formulations have superior …

Enhanced photodegradation of 3-nitro-1, 2, 4-triazol-5-one by FeCuO bimetallic catalyst supported on mesoporous carbon nitride

H Li, S Zeng, S Jin, C She, J Wang, L Li… - Journal of Environmental …, 2023 - Elsevier
Nitro-1, 2, 4-triazol-5-one (NTO) is one high energy and insensitive single explosive that has
been applied in insensitive ammunition in recent years. However, the high deposition of …

The effects of physical form, moisture, humic acids, and mixtures on the photolysis of insensitive munitions compounds

WM Kadoya, SA Beal, S Taylor, K Dontsova - Science of The Total …, 2024 - Elsevier
The explosive formulations IMX-101 and IMX-104 are replacing conventional explosives in
munitions, making them safer to transport and handle. However, munitions manufacturing …

5-Amino-1, 2, 4-triazol-3-one Degradation by Indirect Photolysis: A Density Functional Theory Study

LK Sviatenko, L Gorb, J Leszczynski - The Journal of Physical …, 2024 - ACS Publications
Sunlight irradiation induces formation of reactive oxygen species (superoxide, hydroperoxyl
radical, singlet oxygen, etc.), which readily take part in degradation of environmental …

Role of Hydroxyl Radical in Degradation of NTO: DFT Study

LK Sviatenko, L Gorb, J Leszczynski - The Journal of Physical …, 2023 - ACS Publications
Hydroxyl radicals are important reactive oxygen species produced in the aquatic
environment under sunlight irradiation. Many organic pollutants may be decomposed as …

Degradation of NTO induced by superoxide and hydroperoxyl radicals: a comprehensive DFT study

LK Sviatenko, L Gorb, J Leszczynski - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
Reactive oxygen species, produced in the aquatic environment under sunlight irradiation,
actively take part in degradation of environmental pollutants. NTO (5-nitro-1, 2, 4-triazol-3 …

Comprehensive atomic insight into the whole process of thermolysis of HMX/CL-20 mixed explosives based on a brand-new layered model of mixed explosives

G Guo, F Chen, T Li, L Dong, D Cao, X Yuan - Journal of Thermal Analysis …, 2024 - Springer
Based on a brand-new and excellent layered model of mixed explosives, the thermolysis
process of HMX/CL-20 mixed explosives at different temperatures was studied by reactive …

Impact of Cations and Implicit Solvent on the Sensitivity of the Enol Tautomers of 3-Nitro-1, 2, 4-Triazole-5-One: A DFT Study

N Prasetyo, S Hadisaputra - Key Engineering Materials, 2024 - Trans Tech Publ
The explosive sensitivity of the supramolecular interaction between cations (Mn+= Li+, Na+,
K+, Be2+, Ca2+ and Mg2+) with enol tautomers (c0 and c1) of 3-nitro-1, 2, 4-triazole-5-one …