Synthesis and Characterization of 3,5-Diamino-1,2,4-triazolium Dinitramide

被引:37
作者
Klapoetke, Thomas M. [1 ]
Martin, Franz A. [1 ]
Mayr, Norbert T. [1 ]
Stierstorfer, Joerg [1 ]
机构
[1] Univ Munich, Dept Chem, D-81377 Munich, Germany
来源
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2010年 / 636卷 / 15期
关键词
Energetic materials; Azoles; Dinitramides; Detonation parameters; IR spectroscopy; NMR spectroscopy; SET MODEL CHEMISTRY; ENERGETIC MATERIALS; CRYSTAL-STRUCTURES; SALTS; HEATS;
D O I
10.1002/zaac.201000298
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
3,5-Diamino-1,2,4-triazole (1, guanozol) was protonated with diluted hydrochloric acid, nitric acid, as well as perchloric acid forming 3,5-diamino-1,2,4-triazolium chloride hemihydrate (2), 3,5cliamino-1,2,4-triazolium nitrate (3) and 3,5-diamino-1,2,4-triazolium perchlorate (4), respectively. In a second step 4 reacted with potassium dinitramide forming 3,5-diamino-1,2,4-triazolium dinitramide (5) and low soluble potassium perchlorate. Compounds 2-5 were characterized by low temperature single X-ray diffraction, IR and Raman as well as multinuclear NMR spectroscopy, mass spectrometry and differential scanning calorimetry. The heats of formation of 1-5 were calculated by the CBS-4M method to be 81.1 (1), 124.7 (2), -76.1 (3), -25.2 (4) and 138.7 (5) k.J.mol(-1). With these values as well as the X-ray densities several detonation parameters were calculated using both computer codes EXPLO5.03 and EXPLO5.04. In addition, the sensitivities of 1-5 were determined by the BAM drophammer and friction tester as well as a small scale electrical discharge device.
引用
收藏
页码:2555 / 2564
页数:10
相关论文
共 66 条
[1]   COMPLETION AND REFINEMENT OF CRYSTAL-STRUCTURES WITH SIR92 [J].
ALTOMARE, A ;
CASCARANO, G ;
GIACOVAZZO, C ;
GUAGLIARDI, A .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1993, 26 (pt 3) :343-350
[2]  
[Anonymous], 2002, 45102 WIWEB
[3]  
[Anonymous], 2002, 4487 NATO
[4]  
[Anonymous], 2005, CRYSALIS CCD VERS 1
[5]  
[Anonymous], COMMUNICATION
[6]  
[Anonymous], 1999, NATO IMP SENS TESTS
[7]  
[Anonymous], EXPLO5 4 PROGRAM
[8]  
[Anonymous], 1998, Explosivstoffe
[9]  
[Anonymous], EXPLO5 3 PROGRAM
[10]  
[Anonymous], 4490 NATO