Thermal Decomposition of 3-Nitro-1-nitromethyl-1,2,4-1H-triazole in Solution |
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| Authors: | R S Stepanov L A Kruglyakova O A Golubtsova A M Astakhov |
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| Institution: | (1) Siberian State Technological University, Krasnoyarsk, 660049, Russia |
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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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| Keywords: | heterocyclic nitro compounds 3-nitro-1-nitromethyl-1 2 4-1H-triazole thermal decomposition energy-rich substances |
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