Structural and Theoretical Investigation of 3,4,5-Triamino-1,2,4-Triazolium Salts

Abstract

Reactions using the high nitrogen heterocycle 3,4,5-triamino-1,2,4-triazole (guanazine) with strong acids (HNO 3 , HClO 4 , and "HN(NO 2 ) 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 are 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.