Salts of Methylated 5-Aminotetrazoles with Energetic Anions
详细信息 查看全文
- 作者：Konstantin Karaghiosoff ; Thomas M. Klapö ; tke ; Peter Mayer ; Carles Miró ; Sabaté ; Alexander Penger ; Jan M. Welch
- 刊名：Inorganic Chemistry
- 出版年：2008
- 出版时间：February 4, 2008
- 年：2008
- 卷：47
- 期：3
- 页码：1007 - 1019
- 全文大小：331K
- 年卷期：v.47,no.3(February 4, 2008)
- ISSN：1520-510X
文摘
1-Methyl-5-aminotetrazole (4, MAT) can easily be protonated by strong acids, yielding known but largely uninvestigated1-methyl-5-aminotetrazolium nitrate (4a) and perchlorate (4b). Methylation, rather than protonation, of 4 withiodomethane followed by the exchange of the iodide (5a) for nitrate (5b), perchlorate (5c), azide (5d), and dinitramide(5e) yields a new family of energetic methylated aminotetrazole salts. In all cases, stable salts were obtained andfully characterized by vibrational (IR, Raman) spectroscopy, multinuclear NMR spectroscopy, mass spectrometry,elemental analysis, and X-ray structure determination. Compounds 4a, 4b, and 5c crystallize in the monoclinicspace group P21/n, whereas compounds 5b and 5e crystallize in the orthorhombic space group P212121 and 5d inthe orthorhombic Fddd. Initial safety testing (impact, friction, and electrostatic sensitivity) and thermal stabilitymeasurements (DSC) were also carried out. The MAT salts all exhibit good thermal stabilities (decompositionabove 150 
C). The constant volume energies of combustion (
cU) of 4a, 5b, 5d, and 5e were determined to be-2510(10) cal/g, -3190(30) cal/g, -4500(100) cal/g, and -2570(70) cal/g, respectively, experimentally using oxygenbomb calorimetry. From the experimentally determined density, chemical composition and energies of formation(back calculated from the heats of combustion), the detonation pressures and velocities of 4a (8100 m/s, 25.6GPa), 5b (7500 m/s, 20.2 GPa), 5d (8200 m/s, 21.7 GPa), and 5e (7500 m/s, 21.2 GPa) were predicted using theEXPLO5 code.
C). The constant volume energies of combustion (cU) of 4a, 5b, 5d, and 5e were determined to be-2510(10) cal/g, -3190(30) cal/g, -4500(100) cal/g, and -2570(70) cal/g, respectively, experimentally using oxygenbomb calorimetry. From the experimentally determined density, chemical composition and energies of formation(back calculated from the heats of combustion), the detonation pressures and velocities of 4a (8100 m/s, 25.6GPa), 5b (7500 m/s, 20.2 GPa), 5d (8200 m/s, 21.7 GPa), and 5e (7500 m/s, 21.2 GPa) were predicted using theEXPLO5 code.