Synthesis of energetic coordination polymers based on 4-nitropyrazole by solid-melt crystallization in non-ionization condition

Ting wei Wang; Shu Bu; Kun Wang; Lu Zhang; Zhen xin Yi; Shun guan Zhu; Jian guo Zhang

doi:10.1016/j.dt.2022.12.015

Synthesis of energetic coordination polymers based on 4-nitropyrazole by solid-melt crystallization in non-ionization condition

Ting wei Wang, Shu Bu, Kun Wang, Lu Zhang, Zhen xin Yi, Shun guan Zhu, Jian guo Zhang^*

^*Corresponding author for this work

School of Mechatronical Engineering

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

Based on the theory of crystallization, a solvent-free solid-liquid phase crystallization method called solid-melt crystallization was designed to prepare energetic coordination polymers. Two target compounds [Cu(NPyz)₄NO₃]·NO₃ (ECPs-1) and Cu(NPyz)₄(ClO₄)₂ (ECCs-2) were prepared through programmed heating and cooling by using 4-nitropyrazole (NPyz), (Cu(NO₃)₂·5H₂O and Cu(ClO₄)₂·5H₂O as raw materials. In addition, crystallization pre-experiments and annealing experiments also verified the feasibility of the method. Their structures were confirmed by IR, elemental analysis, single-crystal X-ray diffraction and powder X-ray diffraction. The physicochemical properties and sensitivity test results showed that ECCs-2 has better thermal stability (T_d = 221 °C), while ECPs-1 is less sensitive to mechanical stimuli (IS = 12 J, FS = 240 N). Calculations based on EXPLO5 and the Kamlet-Jacobs equation showed that ECCs-2 has more considerable detonation performance (P = 25.2 GPa, D = 7.5 km/s). In comparison, the more intuitive results from the HN test, flame test, thermal resistance test and lead plate explosion test revealed that ECCs-2 has an “ acceptable” detonation performance. The laser detonation test also showed that ECCs-2 is a promising excellent laser detonation material (E = 408 mJ, P = 24 W,τ = 17 ms).

Original language	English
Pages (from-to)	13-22
Number of pages	10
Journal	Defence Technology
Volume	28
DOIs	https://doi.org/10.1016/j.dt.2022.12.015
Publication status	Published - Oct 2023

Keywords

4-Amino-1,2,5-oxadiazole-3-carbohydrazide
Coordination polymers
Crystallization
Laser
Primary explosives

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10.1016/j.dt.2022.12.015

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@article{c099992d579e462e9cc7689ec39dfec4,

title = "Synthesis of energetic coordination polymers based on 4-nitropyrazole by solid-melt crystallization in non-ionization condition",

abstract = "Based on the theory of crystallization, a solvent-free solid-liquid phase crystallization method called solid-melt crystallization was designed to prepare energetic coordination polymers. Two target compounds [Cu(NPyz)4NO3]·NO3 (ECPs-1) and Cu(NPyz)4(ClO4)2 (ECCs-2) were prepared through programmed heating and cooling by using 4-nitropyrazole (NPyz), (Cu(NO3)2·5H2O and Cu(ClO4)2·5H2O as raw materials. In addition, crystallization pre-experiments and annealing experiments also verified the feasibility of the method. Their structures were confirmed by IR, elemental analysis, single-crystal X-ray diffraction and powder X-ray diffraction. The physicochemical properties and sensitivity test results showed that ECCs-2 has better thermal stability (Td = 221 °C), while ECPs-1 is less sensitive to mechanical stimuli (IS = 12 J, FS = 240 N). Calculations based on EXPLO5 and the Kamlet-Jacobs equation showed that ECCs-2 has more considerable detonation performance (P = 25.2 GPa, D = 7.5 km/s). In comparison, the more intuitive results from the HN test, flame test, thermal resistance test and lead plate explosion test revealed that ECCs-2 has an “ acceptable” detonation performance. The laser detonation test also showed that ECCs-2 is a promising excellent laser detonation material (E = 408 mJ, P = 24 W,τ = 17 ms).",

keywords = "4-Amino-1,2,5-oxadiazole-3-carbohydrazide, Coordination polymers, Crystallization, Laser, Primary explosives",

author = "Wang, {Ting wei} and Shu Bu and Kun Wang and Lu Zhang and Yi, {Zhen xin} and Zhu, {Shun guan} and Zhang, {Jian guo}",

note = "Publisher Copyright: {\textcopyright} 2023 China Ordnance Society",

year = "2023",

month = oct,

doi = "10.1016/j.dt.2022.12.015",

language = "English",

volume = "28",

pages = "13--22",

journal = "Defence Technology",

issn = "2096-3459",

publisher = "KeAi Communications Co.",

}

TY - JOUR

T1 - Synthesis of energetic coordination polymers based on 4-nitropyrazole by solid-melt crystallization in non-ionization condition

AU - Wang, Ting wei

AU - Bu, Shu

AU - Wang, Kun

AU - Zhang, Lu

AU - Yi, Zhen xin

AU - Zhu, Shun guan

AU - Zhang, Jian guo

PY - 2023/10

Y1 - 2023/10

N2 - Based on the theory of crystallization, a solvent-free solid-liquid phase crystallization method called solid-melt crystallization was designed to prepare energetic coordination polymers. Two target compounds [Cu(NPyz)4NO3]·NO3 (ECPs-1) and Cu(NPyz)4(ClO4)2 (ECCs-2) were prepared through programmed heating and cooling by using 4-nitropyrazole (NPyz), (Cu(NO3)2·5H2O and Cu(ClO4)2·5H2O as raw materials. In addition, crystallization pre-experiments and annealing experiments also verified the feasibility of the method. Their structures were confirmed by IR, elemental analysis, single-crystal X-ray diffraction and powder X-ray diffraction. The physicochemical properties and sensitivity test results showed that ECCs-2 has better thermal stability (Td = 221 °C), while ECPs-1 is less sensitive to mechanical stimuli (IS = 12 J, FS = 240 N). Calculations based on EXPLO5 and the Kamlet-Jacobs equation showed that ECCs-2 has more considerable detonation performance (P = 25.2 GPa, D = 7.5 km/s). In comparison, the more intuitive results from the HN test, flame test, thermal resistance test and lead plate explosion test revealed that ECCs-2 has an “ acceptable” detonation performance. The laser detonation test also showed that ECCs-2 is a promising excellent laser detonation material (E = 408 mJ, P = 24 W,τ = 17 ms).

AB - Based on the theory of crystallization, a solvent-free solid-liquid phase crystallization method called solid-melt crystallization was designed to prepare energetic coordination polymers. Two target compounds [Cu(NPyz)4NO3]·NO3 (ECPs-1) and Cu(NPyz)4(ClO4)2 (ECCs-2) were prepared through programmed heating and cooling by using 4-nitropyrazole (NPyz), (Cu(NO3)2·5H2O and Cu(ClO4)2·5H2O as raw materials. In addition, crystallization pre-experiments and annealing experiments also verified the feasibility of the method. Their structures were confirmed by IR, elemental analysis, single-crystal X-ray diffraction and powder X-ray diffraction. The physicochemical properties and sensitivity test results showed that ECCs-2 has better thermal stability (Td = 221 °C), while ECPs-1 is less sensitive to mechanical stimuli (IS = 12 J, FS = 240 N). Calculations based on EXPLO5 and the Kamlet-Jacobs equation showed that ECCs-2 has more considerable detonation performance (P = 25.2 GPa, D = 7.5 km/s). In comparison, the more intuitive results from the HN test, flame test, thermal resistance test and lead plate explosion test revealed that ECCs-2 has an “ acceptable” detonation performance. The laser detonation test also showed that ECCs-2 is a promising excellent laser detonation material (E = 408 mJ, P = 24 W,τ = 17 ms).

KW - 4-Amino-1,2,5-oxadiazole-3-carbohydrazide

KW - Coordination polymers

KW - Crystallization

KW - Laser

KW - Primary explosives

UR - http://www.scopus.com/inward/record.url?scp=85146482421&partnerID=8YFLogxK

U2 - 10.1016/j.dt.2022.12.015

DO - 10.1016/j.dt.2022.12.015

M3 - Article

AN - SCOPUS:85146482421

SN - 2096-3459

VL - 28

SP - 13

EP - 22

JO - Defence Technology

JF - Defence Technology

ER -

Synthesis of energetic coordination polymers based on 4-nitropyrazole by solid-melt crystallization in non-ionization condition

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