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

页码：329 / 337

页数：9