A Density Functional Analysis of a Decomposition of 4-Nitro-1,2,3-Triazole through the Evolution of N2.
NEW ORLEANS UNIV LA DEPT OF CHEMISTRY
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A density functional computational study shows that 4-nitro- 1,2,3-triazole, which is highly impact sensitive, can decompose through ring opening and subsequent N2 evolution, with the net release of 12 kcalmole. An input of 52 kcalmole is required to initiate the process. jg
- Inorganic Chemistry
- Organic Chemistry
- Physical Chemistry