Structural and theoretical investigations of 3,4,5-triamino-1,2,4-triazolium salts

被引：37
|
作者：
Drake, GW
Hawkins, TW
Hall, LA
Boatz, JA
Brand, AJ
机构：
[1] George C Marshall Space Flight Ctr, Propuls Res Lab, Huntsville, AL 35812 USA
[2] AFRL PRSP, Space & Missile Propuls Div, Edwards AFB, CA 93524 USA
来源：
PROPELLANTS EXPLOSIVES PYROTECHNICS | 2005年 / 30卷 / 05期
关键词：
heterocycles; nitrate; perchlorate; dinitramide; calculations;
D O I：
10.1002/prep.200500022
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
Reactions using the high nitrogen heterocycle 3,4,5-trianiino-1,2.4-triazole (guanazine) with strong acids (HNO3, HClO4, and "HN(NO2)(2)") resulted in a family of highly stable salts. All of the salts were characterized using spectroscopic as well as single crystal X-ray diffraction studies. The X-ray structures were compared to that obtained from theoretical calculations (MP2/6-311 + G(d, p) level). Initial safety testing (impact, friction) was carried out on all of the new materials.
引用
收藏
页码：329 / 337
页数：9
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