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New Generation Agent Defeat Weapons: Energetic N , N ′‐Ethylene‐Bridged Polyiodoazoles
Author(s) -
Zhao Gang,
Kumar Dheeraj,
He Chunlin,
Hooper Joseph P.,
Imler Gregory H.,
Parrish Damon A.,
Shreeve Jean'ne M.
Publication year - 2017
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201704798
Subject(s) - thermal decomposition , ethylene , decomposition , detonation , chemistry , pyrazole , imidazole , explosive material , organic chemistry , catalysis
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, and 1 H and 13 C 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.