Insensitive energetic azide-based metal-organic frameworks: Highly stable frameworks constructed by nitrogen-rich and rigid ligands

被引：1

作者：

Xie, Hao-Hui ^{[1
]}

Yang, Wen-Jing ^{[1
]}

Lin, Feng-Yi ^{[1
]}

Wu, Bing-Xin ^{[1
]}

Zhang, Zhi-Chao ^{[1
]}

Han, Si ^{[1
]}

Liu, Wen-Di ^{[1
]}

Zheng, Fa-Kun ^{[2
]}

Xu, Jian-Gang ^{[1
,2
]}

机构：

[1] Fujian Agr & Forestry Univ, Coll Mat Engn, Fuzhou 350108, Peoples R China

[2] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2024年 / 1315卷

基金：

中国国家自然科学基金;

关键词：

Energetic metal -organic frameworks; Cadmium azide; Structural motifs; Heat; -resistant; Insensitive;

D O I：

10.1016/j.molstruc.2024.138893

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The design and development of azide-based energetic metal-organic frameworks (EMOFs) with high energy and reliable stabilities for energetic materials still remains significant challenges. Herein, we utilized two rigid triazole-based polydentate ligands to design and synthesize two stable azide-based EMOFs [Cd(N3)(TRZ)]n 1 (HTRZ = 1,2,4-triazole) and [Cd(N3)(ATRT)(H2O)]n 2 (HATRT = 5-amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4triazole). Structural analysis reveals that 1 displays a unique 3D inserted 3D framework, and 2 presents a rigid 2D network with strong 7C-7C packing interactions. Compounds 1 and 2 feature rarely insensitive to mechanical stimulation and exhibit excellent thermal stabilities reaching up to 371 and 366 degrees C, respectively. The calculated heats of detonation (Delta Hdet) of 2 is 5.315 kJ center dot g- 1, which is much higher than that of the traditional explosive 2,4,6trinitrotoluene (TNT, Delta Hdet = 3.72 kJ center dot g- 1). The experimental results and theoretical calculations demonstrate that the specific 3D inserted 3D structure of 1 and the rigid 2D network of 2 produce high mechanical strength. This study not only provides two azide-based EMOFs with reliable stabilities as potential replacements for traditional energetic materials, but also illustrates a new insight into building stable structural models of azidebased EMOFs.

引用

页数：8