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Two Outstanding Explosives Based on 1,2‐Dinitroguanidine: Ammonium‐ dinitroguanidine and 1,7‐Diamino‐1,7‐dinitrimino‐2,4,6‐trinitro‐2,4,6‐triazaheptane
Author(s) -
Altenburg Thomas,
Klapötke Thomas M.,
Penger Alexander,
Stierstorfer Jörg
Publication year - 2010
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200900560
Subject(s) - monoclinic crystal system , detonation , orthorhombic crystal system , apx , detonation velocity , chemistry , crystal (programming language) , raman spectroscopy , crystallography , analytical chemistry (journal) , ammonium hydroxide , crystal structure , physics , explosive material , inorganic chemistry , optics , organic chemistry , peroxidase , enzyme , computer science , programming language
Ammonium‐dinitroguanidine ( ADNQ ) and 1,7‐diamino‐1,7‐dinitrimino‐2,4,6‐trinitro‐2,4,6‐triazaheptane ( APX ) have been synthesized in high yield and purity. Both compounds were characterized by multinuclear NMR ( 1 H, 13 C, 14 N) and vibrational spectroscopy. The molecular structures were elucidated by single‐crystal X‐ray diffraction. ADNQ crystallizes in the monoclinic space group P 2 1 / c with a crystal density of ρ = 1.735 g · cm –3 , APX in the orthorhombic space group Pbnc with a crystal density of ρ = 1.911 g · cm –3 . ADNQ decomposes at 197 °C, APX at 174 °C. Impact (IS), friction (FS) and electrostatic discharge (ESD) sensitivities were determined experimentally for both compounds. ( ADNQ : IS ≥ 10 J, FS ≥ 252 N and ESD ≥ 0.4 J, APX: IS ≥ 3 J, FS ≥ 80 N and ESD ≥ 0.1 J). Polymer bonded mixtures of APX with 5 % PVAA resin proved to be less sensitive towards mechanical stimuli (IS ≥ 5J, FS = 160 N). The detonation parameters (EXPLO5 code) were calculated using combined quantum chemical (CBS‐4M) methods and a chemical equilibrium calculation based on the steady‐state model of detonation: ADNQ ( V det = 9066 m · s –1 , p C–J = 332 kbar, Q v = –5193 kJ · kg –1 ), APX ( V det = 9540 m · s –1 , p C–J = 395 kbar, Q v = –5935 kJ · kg –1 ). The experimentally determined detonation velocity (fibre optic technique) agrees well with the theoretical values, indicating that APX shows better detonation performance than HMX (1,3,5,7‐Tetranitro‐1,3,5,7‐tetraazoctane).