New Generation Agent Defeat Weapons: Energetic N,N′-Ethylene-Bridged Polyiodoazoles

作者：Zhao Gang; Kumar Dheeraj; He Chunlin; Hooper Joseph P.; Imler Gregory H.; Parrish Damon A.; Shreeve Jean'ne M.^*

来源：Chemistry - A European Journal, 2017, 23(66): 16753-16757.

DOI：10.1002/chem.201704798

• Combustion adjuvants
• Decomposition products
• Detonation properties
• Ethylene-bridged
• Heats of formation
• Heterocycles
• Polyiodoazoles
• Single crystal x-ray diffraction

Sodium salts of iodine-rich pyrazole and imidazole with 1-(2-bromoethyl)-5-aminotetrazole are useful precursors for energetic N,N′-ethylene-bridged polyiodoazoles. Compounds 1–3 were characterized with IR, and1H and13C NMR spectroscopy as well as elemental analyses. The molecular structures of 1 and 2 were confirmed by using single crystal X-ray diffraction. Heats of formation were calculated using Gaussian 03 and detonation properties and biocidal efficiency were calculated with CHEETAH 7. The decomposition products of 1–3 destroy microbes more effectively than some previously reported biocides since the thermal decomposition occurs at below 400 °C without addition of oxidizer or combustion adjuvant.

• 出版日期2017