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Thermal Decomposition of Energetic Materials XXIV. A comparison of the crystal structures, IR spectra, Thermolysis and impact sensitivities of nitroguanidine and trinitroethylnitroguanidine
Author(s) -
Oyumi Y.,
Rheingold A. L.,
Brill T. B.
Publication year - 1987
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.19870120204
Subject(s) - orthorhombic crystal system , thermal decomposition , crystal structure , chemistry , hydrogen bond , crystallography , decomposition , intermolecular force , infrared spectroscopy , crystal (programming language) , analytical chemistry (journal) , molecule , organic chemistry , computer science , programming language
The crystal structure of trinitroethylnitroguanidine (TNENG) was determined by X‐ray diffraction for comparison with nitroguanidine (NGu). Pertinent crystal parameters are: orthorhombic, Pbca, a = 14.611 (7) Å, b = 11.973 (5) Å, c = 11.452 (5) Å, V = 2003 (2) Å 3 , Z = 8, D(calcd) = 1.758 g/cm 3 , R(F) = 6.30%, R(wF) = 6.58%. A hydrogen bonded network like that present in NGu is largely responsible for the lattice cohesion of TNENG. The IR spectrum of the condensed phase using slow thermolysis, and the gas phase using slow and fast thermolysis, suggests that parallel CN and NN bond fission reactions take place in both TNENG and NGu. The calculated and experimental values of the impact sensitivity of TNENG and NGu are compared. We conclude that the impact sensitivity and the thermal decomposition of TNENG are dominated by the characteristics of the C(NO 2 ) 3 group. The intermolecular hydrogen bonding that may desensitize nitroguanidine to impact has essentially no stabilizing effect on TNENG.