Adjusting the Coordination Configuration by Changing Electrostatic Potential: Introducing N/O/S Heteroatoms Based on the Electronic Effect DOI
Chao Zhang, Tingwei Wang,

Shaoqun Li

et al.

The Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 20, 2024

Energetic coordination compounds (ECCs) have demonstrated unique advantages in regulating the physicochemical properties of energetic materials through design organic ligands. The fundamental approach involves altering electron cloud density distribution ligands to modify characteristics sites and, thus, achieve new configurations. In this study, Mulliken charge and surface electrostatic potential analysis were used elucidate effects pyridinic N, pyrrolic oxazolic O, thiazolic S on carbohydrazide groups induction effect conjugate effect. Furthermore, three AgClO4-based ECCs synthesized based 1H-imidazole-4-carbohydrazide, oxazole-4-carbohydrazide, thiazole-4-carbohydrazide. Single-crystal X-ray diffraction revealed that [Ag(IZ-4-CA)ClO4]n has a one-dimensional (1D) chain structure, while Ag2(OZCA)2(ClO4)2 Ag2(SZCA)2(ClO4)2 exhibit zero-dimensional structures. 1D with good planarity, results having lower mechanical sensitivity (IS = 21 J, FS 80 N). introduction O enhances oxygen balance (OB), leading higher predicted detonation velocity pressure for (D 6.4 km s–1, P 23.6 GPa). Although is unfavorable improving balance, exhibits highest initial decomposition temperature among three, at 232 °C. Additionally, initiation tests can successfully detonate cyclotrimethylenetrinitramine (RDX), indicating capabilities.

Language: Английский

One‐Pot Synthesis of Innovative Multicomponent Complexes as Catalysts for Enhanced Decomposition of Ammonium Perchlorate DOI Open Access

Wen‐Shuai Dong,

Pei‐Pei Zhang,

Meiqi Xu

et al.

Small, Journal Year: 2025, Volume and Issue: unknown

Published: March 10, 2025

The creation of multi-component energetic complex molecules, with functionalized groups, combined synergistic catalysis among catalytic interactions between their components, offers a remarkable opportunity to boost the energy release ammonium perchlorate (AP). This study uses one-pot method investigate synthesis approach for coordinating anion complexes.Furthermore, potential applications this series complexes as combustion catalysts are analyzed. results show that mixing an AP, in distinct thermal decomposition pattern. Specifically, AG[Zn(DNPO)2]2H2O (AEP-2) and DAG[Zn(DNPO)2]2H2O (AEP-3) catalyze AP single exothermic reaction. high-temperature increased 309.8 323.9 °C, respectively. Real-time infrared detection revealed H₂O, N₂O, NO₂, HCl, confirming accelerated period catalyzed decomposition. Furthermore, CO₂ indicates catalyst is also decomposed during phase. Kinetic analysis process shows via nucleation pathway. mechanism elucidated based on these findings.

Language: Английский

Citations

0
A new sulfur-containing laser-sensitive primary explosive based on thiazole-4-carbohydrazide DOI Creative Commons
Chao Zhang, Tingwei Wang, Zujia Lu

et al.

Energetic Materials Frontiers, Journal Year: 2024, Volume and Issue: 5(3), P. 191 - 198

Published: Feb. 9, 2024

This study effectively synthesized thiazole-4-carbohydrazide (SZCA) and its ionic salt SZCA·HClO4 energetic complex Cu(SZCA)2(ClO4)2 (ECC-1). The new compound SZCA, ECC-1 were fully characterized through elemental analysis, infrared spectroscopy, 13C NMR spectroscopy thermal stability analysis. combustion heat of was measured by oxygen bomb calorimetry, detonation performance predicted Kamlet-Jacobs formula EXPLO5, respectively. mechanical sensitivity tested using BAM method. In particular, we comprehensively evaluated the initiation ability lead plate destruction experiment laser experiment. results show that have a decomposition temperature 236 °C, exhibits acceptable (impact sensitivity: 3.4 J, friction 4 N), decent properties (D: 6.6 km s−1, P: 21.3 GPa). And could be initiated single-pulse (λ: 808 nm, 20 W, t: 3 ms), successfully detonated next charge, such as RDX CL-20.

Language: Английский

Citations

3
A novel energetic pyridine-2-carbohydrazide copper perchlorate complex: synthesis, cationic ligand structure and properties DOI

Baolong Kuang,

Zujia Lu, Bin-shan Zhao

et al.

New Journal of Chemistry, Journal Year: 2024, Volume and Issue: 48(17), P. 7946 - 7952

Published: Jan. 1, 2024

The pyridine-2-carbohydrazide copper perchlorate complex was synthesized, and it possessed high thermal stabilitiy moderate sensitivity which sensitive to laser could detonate RDX.

Language: Английский

Citations

3
Research progress of energetic coordination complexes with laser ignition performance DOI Creative Commons
Jinxin Wang, Qiang Zhang, Haifeng Wang

et al.

Energetic Materials Frontiers, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 1, 2024

Language: Английский

Citations

1
Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators DOI
Jinkun Guo, Shiliang Huang, Liyuan Wei

et al.

New Journal of Chemistry, Journal Year: 2024, Volume and Issue: 48(41), P. 18014 - 18021

Published: Jan. 1, 2024

A series of energetic coordination polymers has been synthesized by incorporating dinitromethyltetrazole with alkali metals (Na, K, Rb and Cs), which have potential applications in laser initiating high explosives.

Language: Английский

Citations

0
Adjusting the Coordination Configuration by Changing Electrostatic Potential: Introducing N/O/S Heteroatoms Based on the Electronic Effect DOI
Chao Zhang, Tingwei Wang,

Shaoqun Li

et al.

The Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 20, 2024

Energetic coordination compounds (ECCs) have demonstrated unique advantages in regulating the physicochemical properties of energetic materials through design organic ligands. The fundamental approach involves altering electron cloud density distribution ligands to modify characteristics sites and, thus, achieve new configurations. In this study, Mulliken charge and surface electrostatic potential analysis were used elucidate effects pyridinic N, pyrrolic oxazolic O, thiazolic S on carbohydrazide groups induction effect conjugate effect. Furthermore, three AgClO4-based ECCs synthesized based 1H-imidazole-4-carbohydrazide, oxazole-4-carbohydrazide, thiazole-4-carbohydrazide. Single-crystal X-ray diffraction revealed that [Ag(IZ-4-CA)ClO4]n has a one-dimensional (1D) chain structure, while Ag2(OZCA)2(ClO4)2 Ag2(SZCA)2(ClO4)2 exhibit zero-dimensional structures. 1D with good planarity, results having lower mechanical sensitivity (IS = 21 J, FS 80 N). introduction O enhances oxygen balance (OB), leading higher predicted detonation velocity pressure for (D 6.4 km s–1, P 23.6 GPa). Although is unfavorable improving balance, exhibits highest initial decomposition temperature among three, at 232 °C. Additionally, initiation tests can successfully detonate cyclotrimethylenetrinitramine (RDX), indicating capabilities.

Language: Английский

Citations

0