4.6 Article

The synthesis of di(aminoguanidine) 5-nitroiminotetrazolate: Some diprotic or monoprotic acids as precursors of energetic salts

Journal

CHEMISTRY-A EUROPEAN JOURNAL
Volume 14, Issue 18, Pages 5596-5603

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.200800238

Keywords

ab initio calculations; energetic compounds; heats of formation; nitrogen; salt formation

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Syntheses of salts with 4,6-bis (nitroimino)-1,3,5-triazinan-2-one (DNAM), 3,5-dinitro-1,2,4-cyclopentanetrione (DDCP), 3-nitroiminotriazolate, and 5-nitroiminotetrazolate as anions yielded moderately dense nitro-containing energetic salts that are thermally stable to >200 degrees C (measured by thermogravimetric analysis). Di(aminoguanidine) 5-nitroiminotetrazolate (8) crystallizes in the monoclinic space group P2(1)/c with an essentially planar 5-nitroiminotetrazolate dianion. Based on experimental and calculated densities, and theoretical calculations carried out by using the Gaussian 03 suite of programs, all of the salts have calculated detonation pressures and velocities that exceed those of 2,4,6-trinitrotoluene (TNT) and a few have values that approach those of triaminotrinitrobenzene (TATB).

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