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Thermal Decomposition of 3-Nitro-1-nitromethyl-1,2,4-1H-triazole in Solution

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Abstract

The thermal decomposition of 3-nitro-1-nitromethyl-1,2,4-1H-triazole in 1% solution in phenyl benzoate proceeds homolytically with initial rupture of the CH2-NO2 bond. Activation parameters of the process were E a = 172.6 kJ/mol, log A = 14.25. The initial basic pathway of fragmentation of the molecule under electron impact coincides with the first step of thermal decomposition, which is in agreement with X-ray structural and calculated quantum chemical data on bond stability in the molecule.

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Authors and Affiliations

  1. Siberian State Technological University, Krasnoyarsk, 660049, Russia

    R. S. Stepanov, L. A. Kruglyakova, O. A. Golubtsova & A. M. Astakhov

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  1. R. S. Stepanov
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  2. L. A. Kruglyakova
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  3. O. A. Golubtsova
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  4. A. M. Astakhov
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Stepanov, R.S., Kruglyakova, L.A., Golubtsova, O.A. et al. Thermal Decomposition of 3-Nitro-1-nitromethyl-1,2,4-1H-triazole in Solution. Chemistry of Heterocyclic Compounds 39, 604–607 (2003). https://doi.org/10.1023/A:1025142015046

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  • DOI: https://doi.org/10.1023/A:1025142015046

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