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2‐(Dinitromethylene)‐1‐nitro‐1, 3‐diazacyclopentane‐Based Energetic Salts
Author(s) -
Song Jinhong,
Zhou Zhiming,
Cao Dan,
Huang Haifeng,
Liang Lixuan,
Wang Kai,
Zhang Jun
Publication year - 2012
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.201100512
Subject(s) - chemistry , elemental analysis , differential scanning calorimetry , spectroscopy , nitrogen , nitro , detonation velocity , standard enthalpy of formation , yield (engineering) , detonation , infrared spectroscopy , nuclear magnetic resonance spectroscopy , analytical chemistry (journal) , crystallography , nuclear chemistry , inorganic chemistry , materials science , organic chemistry , explosive material , physics , alkyl , quantum mechanics , metallurgy , thermodynamics
Abstract Energetic salts that contain nitrogen‐rich cations and the 2‐(dinitromethyl)‐3‐nitro‐1, 3‐diazacyclopent‐1‐ene anion were synthesized in high yield by direct neutralization reactions. The resulting salts were fully characterized by multinuclear NMR spectroscopy ( 1 H and 13 C), vibrational spectroscopy (IR), elemental analysis, density and differential scanning calorimetry (DSC), and elemental analysis. Additionally, the structures of the ammonium ( 1 ) and isopropylideneaminoguanidinium ( 9 ) 2‐(dinitromethyl)‐3‐nitro‐1, 3‐diazacyclopent‐l‐ene salts were confirmed by single‐crystal X‐ray diffraction. Solid‐state 15 N NMR spectroscopy was used as an effective technique to further determine the structure of some of the products. The densities of the energetic salts paired with organic cations fell between 1.50 and 1.79 g · cm –3 as measured by a gas pycnometer. Based on the measured densities and calculated heats of formation, detonation pressures and velocities were calculated using Explo 5.05 and found to to be 25.2–35.5 GPa and 7949–9004 m · s –1 , respectively, which make them competitive energetic materials.