Studies on 3-Amino-4-(1H-tetrazol-5-yl)-furazan: Crystal Structure, Thermal Behavior and Energetic Performance

Abstract

The structure of 4-amino-3-(5-tetrazolate)-furazan(HAFT) was characterized by single crystal X-ray diffraction. The thermal decomposition process of HAFT was investigated by MS-FTIR-DSC-TG coupling technique. The result shows that the exothermic process occurs from 278.7―350 °C, with a peak temperature of 324.7 °C. The thermal decomposition gaseous products of HAFT are NO₂, CO₂, HCN, CO, NH₃ and H₂O. The detonation velocity and detonation pressure of HAFT were calculated by the nitrogen equivalent equation. The detonation velocity of HAFT is 7727.46 m/s, which is higher than that of TNT(7178 m/s). The detonation pressure of HAFT(25.27 GPa) is satisfactory. The sensitivity tests reveal HAFT possesses excellent insensitivities to impact and friction.

Keywords

3-Amino-4-(1H-tetrazol-5-yl)-furazan / Crystal structure / Thermal behavior / Gas product / Energetic performance

References

[1] Gao H, Shreeve J M. Chem. Rev., 2011, 111: 7377.

[2] Fischer D, Gottfried J L, Klapötke T M, Karaghiosoff K, Stiers-torfer J, Witkowski T G. Angew. Chem. Int. Ed., 2016, 55: 16132.

[3] Steinhauser G, Klapötke T M. Angew. Chem. Int. Ed., 2008, 47: 3330.

[4] Yu Q, Imler G H, Parrish D A, Shreeve J M. Chem. Eur. J., 2017, 23: 17682.

[5] Ma Q, Gu H, Huang J L, Liu D B, Li J S, Fan G J. Propellants Explos. Pyrotech., 2018, 43: 90.

[6] Su Q, Wang X J, Shu Q H, Jin S H, Chen S S, Li L J. J. Hete-rocycl. Chem., 2018, 55: 481.

[7] Qu Y Y, Wei Z X, Kang L, Xie F, Zhang H D, Yue P. Z. Anorg. Allg. Chem., 2017, 643: 742.

[8] Liang L X, Huang H F, Wang K, Bian C M, Song J H, Ling L M, Zhao F Q, Zhou Z M. J. Mater. Chem., 2012, 22: 21954.

[9] Liang L, Wang K, Bian C, Ling L, Zhou Z M. Chem. Eur. J., 2013, 19: 14902.

[10] Wang R H, Guo Y, Zeng Z, Twamley B, Shreeve J M. Chem. Eur. J., 2009, 15: 2625.

[11] Wu B D, Li X Y, Liang J, Geng X H, Huang H S, Huang H, Wang J Y, Hu W H. Polyhedron, 2018, 139: 148.

[12] Wu B D, Liang J, Wang J Y, An C W. Main Group Chem., 2017, 16: 67.

[13] Wang J Y, Liang J, Wu B D, An C W. Main Group Chem., 2016, 15: 325.

[14] Sheldrick G M. SHELXS-97, Program for X-ray Crystal Structure Determination, 1997, Göttingen: University of Göttingen.

[15] Sheldrick G M. SHELXL-97, Program for X-ray Crystal Structure Refinement, 1997, Göttingen: University of Göttingen.

[16] Fischer N, Klapötke T M, Reymann M, Stierstorfer J. Eur. J. Inorg. Chem., 2013, 2013: 2167.

[17] Yin P, Zhang J, He C. J. Mater. Chem. A., 2014, 9: 3200.

[18] Lide D R. Standard Thermodynamic Properties of Chemical Sub-stances, CRC Handbook of Chemistry and Physics, 2007 87th Ed. Boca Raton: Taylor and Francis.

[19] Xu J G, Wang S H, Zhang M J, Sun C, Xiao Y, Li R, Zheng F K, Guo G C, Huang J S. ACS Omega., 2017, 2: 346.

[20] Qiu H, Stepanov V, di Stasio A R, Chou T M, Lee W Y. J. Ha-zard. Mater., 2011, 185: 489.

[21] Guo Y X, Zhang H S. Explos. Shock Waves, 1983, 3: 56.

[22] Wang Y, Zhang J C, Su H, Li S H, Zhang S W, Pang S P. J. Phys. Chem. A., 2014, 118: 4575.

[23] Klapotke T M, Martin F A, Mayr N T, Stierstorfer J Z. Z Anorg. Allg. Chem., 2010, 636: 2555.

[24] Zhang J, Shreeve J M. J. Am. Chem. Soc., 2014, 136: 4437.

[25] Mehta N, Oyler K, Cheng G, Shah A, Marin J, Yee K. Z. Anorg. Allg. Chem., 2014, 640: 1309.

[26] Talawar M B, Sivabalan R, Mukundan T, Muthurajan H, Sikder A K, Gandhe B R, Rao A S. J. Hazard. Mater., 2009, 161: 589.

[27] Yang Z, Liu Y, Liu D, Yan L, Chen J. J. Hazard. Mater., 2010, 177: 938.

[28] Yang L, Wu B D, Zhang T L, Liu Z H, Zhang J G. Propellants Explos. Pyrotech., 2010, 35: 521.

[29] Wu B D, Yang L, Wang S W, Zhang T L, Zhang J G, Zhou Z N, Yu K B. Z. Anorg. Allg. Chem., 2011, 637: 450.

[30] Liu Z H, Zhang T H, Zhang J G, Wang S Z. J. Hazard. Mater., 2008, 154: 832.

[31] Zhang X G. Study on Synthesis and Thermal Decomposition of High-nitrogen Compounds and Their Energetic Materials, 2005, Beijing: School of National University of Defense Technology.