AI Article Synopsis
- - A regioselective synthesis was achieved for new (2-vinyltetrazolyl)furoxans aimed at creating potential energetic monomers, which were thoroughly analyzed using spectral and analytical methods.
- - The crystal structures of two selected compounds were determined through single-crystal X-ray diffraction, revealing important structural insights.
- - These synthesized materials exhibit high nitrogen-oxygen content and favorable properties like good detonation performance, with varying mechanical sensitivities, and show promise as superior energetic monomers compared to traditional explosives like TNT.
Article Abstract
A regioselective approach toward the synthesis of a set of new (2-vinyltetrazolyl)furoxans as potential energetic monomers has been realized. All target energetic materials were thoroughly characterized by spectral and analytical methods. Moreover, crystal structures of two representative heterocyclic systems were studied by single-crystal X-ray diffraction. Prepared high-energy substances have high combined nitrogen-oxygen content (63-71 %), high enthalpies of formation and good detonation parameters (D: 6.7-7.8 km s; P: 18-28 GPa). Mechanical sensitivities of the synthesized vinyltetrazoles range these explosives from highly sensitive to completely insensitive. Using calculations of molecular electrostatic potentials (ESP), structural factors influencing the impact sensitivity were revealed. Overall, newly synthesized (2-vinyltetrazolyl)furoxans are of interest as promising energetic monomers due to the presence of the vinyl moiety and explosophoric heterocyclic combination, while their performance exceeds that of benchmark explosive TNT.
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| http://dx.doi.org/10.1002/cplu.202200365 | DOI Listing |
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