Politzer, Peter published the artcileDensity functional analysis of a decomposition of 4-nitro-1,2,3-triazole through the evolution of N2, Application In Synthesis of 84406-63-3, the publication is International Journal of Quantum Chemistry (1997), 61(3), 389-392, database is CAplus.
A d.-functional computational study shows that 4-nitro-1,2,3-triazole, which is highly impact sensitive, can decompose via ring opening and subsequent N2 evolution, with the net release of 12 kcal/mol. An input of 53 kcal/mol is required to initiate the process.
International Journal of Quantum Chemistry published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Application In Synthesis of 84406-63-3.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics