Journal
PROPELLANTS EXPLOSIVES PYROTECHNICS
Volume 30, Issue 1, Pages 17-26Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/prep.200400081
Keywords
azido tetrazole; electrostatic potential; explosive; molecular orbital (MO) calculation; tetrazolylpentazole; decomposition mechanism; pentazole
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Experimental and theoretical data for 5-azidotetrazole CHN7 and its phenyl derivative 5-azido-1-phenyltetrazole as well as tetrazolylpentazole are reported. We discuss their syntheses, their properties and the X-ray structures of 5-azidotetrazole and its phenyl derivative. The decomposition reactions of tetrazolylpentazole and 5-azidotetrazole were also investigated. We furthermore calculated the electrostatic potentials of 5-azidotetrazole, its methyl and phenyl derivatives and of tetrazolylpentazole to determine the relative sensitivity of these compounds.
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