TNT/NNAP Cocrystal Formation Mechanism via Grinding Process

被引：0
|
作者：
Yi Z.-X. [1 ]
Zhang Y. [1 ]
Wang T.-P. [1 ]
Zhang L. [1 ]
Zhu S.-G. [1 ]
机构：
[1] Department of Applied Chemistry, Nanjing University of Sci&Tech, Nanjing
来源：
Hanneng Cailiao/Chinese Journal of Energetic Materials | 2020年 / 28卷 / 09期
关键词：
2,4,6-trinitrotoluene (TNT)/1-nitronaphthalene (NNAP) cocrystal; Eutectics; Hydrogen bond; Lattice plane; Π-π; stacking;
D O I：
10.11943/CJEM2020078
中图分类号：
学科分类号：
摘要：
In order to study the formation mechanism of 2,4,6-trinitrotoluene (TNT)/ 1-nitronaphthalene (NNAP) cocrystal, powder XRD, FTIR and DSC were used to study the TNT / NNAP samples after grinding at 0 s, 10 s, 20 s, 30 s, 40 s, 50 s and 2 mins. The XRD patterns showed that the new diffraction peak, corresponded to (2 -1 1) plane of TNT/NNAP cocrystal, appeared at 2θ=25.8° and gradually increased its intensity. FTIR spectrum illuminated that the C-N-O bending vibration peak (716 cm-1) of TNT had a blue-shift and became sharp. At the same time, due to π-π stacking, the C-C bending vibration peak (734 cm-1) of TNT benzene ring exhibited a red-shift. The DSC curves indicated there were three endotherm peaks during the formation of cocrystal. These results showed that cocrystal packed at (2 -1 1)) plane firstly. H-bond and π-π stacking played important roles in the formation of TNT/NNAP cocrystal. TNT and NNAP firstly generated two eutectics, then transferred into TNT/NNAP cocrystal. The melting point of this cocrystal is 65℃. © 2020, Editorial Board of Chinese Journal of Energetic Materials. All right reserved.
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页码：861 / 864
页数：3
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共 18 条
  • [1] Fondren Nadia S., Fondren Zachary T., Unruh Daniel K., Et al., Study of Physicochemical and Explosive Properties of a 2,4,6 Trinitrotoluene/Aniline Cocrystal Solvate[J], Crystal Growth & Design, 20, 1, pp. 116-129, (2020)
  • [2] Julien Patrick A, Germann Luzia S, Titi Hatem M, Et al., In situ monitoring of mechanochemical synthesis of calcium urea phosphate fertilizer cocrystal reveals highly effective water-based autocatalysis[J], Chemical Science, 11, 9, pp. 2350-2355, (2020)
  • [3] Bolton O, Simke L R, Matzger A J, Et al., High power explosive with good sensitivity: A 2:1 cocrystal of CL-20:HMX[J], Crystal Growth & Design, 12, 6, pp. 4311-4314, (2012)
  • [4] Bolton O, Matzger A J., Improved stability and smart-material functionality realized in an energetic cocrystal, Angewandte Chemie International Edition, 5038, pp. 8960-8963, (2011)
  • [5] Ma P, Zhang L, Zhu S G, Et al., Synthesis, structural investigation, thermal decomposition, and properties of a cocrystal energetic perchlorate amine salt, Combustion, Explosion, and Shock Waves, 48, 4, pp. 483-487, (2012)
  • [6] Yang Z W, Li H Z, Huang H, Et al., Preparation and performance of a HNIW/TNT cocrystal explosive, Propellants, Explosives, Pyrotechnics, 38, 4, pp. 495-501, (2013)
  • [7] Landenberger K B, Matzger A J., Cocrystal Engineering of a prototype energetic material: Supramolecular chemistry of 2,4,6-trinitrotoluene[J], Crystal Growth & Design, 10, 12, pp. 5341-5347, (2010)
  • [8] Landenberger K B, Bolton O, Matzger A J., Two isostructural explosive cocrystals with significantly different thermodynamic stabilities[J], Angewandte Chemie International Edition, 52, 25, pp. 6468-6471, (2013)
  • [9] Landenberger K B, Bolton O, Matzger A J., Energetic-energetic cocrystals of diacetone diperoxide(DADP): Dramatic and divergent sensitivity modifications via cocrystallization[J], Journal of the American Chemical Society, 137, 15, pp. 5074-5079, (2015)
  • [10] Yang Z W, Li H Z, Zhou X Q, Et al., Characterization and properties of a novel energetic-energetic cocrystal explosive composed of HNIW and BTF[J], Crystal Growth & Design, 12, 11, pp. 5155-5158, (2012)
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