Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.

Dalton Trans

State Key Laboratory of Explosion Science and Safety Protection, Beijing Institute of Technology, Beijing 100081, P. R. China.

Published: August 2024

AI Article Synopsis

  • The research focuses on designing new energetic compounds to improve energetic materials, which are crucial for various applications.* -
  • It involves synthesizing coordination compounds using tetranitroethide (TNE) and studying the interaction between metal ions and small ligands to enhance their properties.* -
  • Various characterization techniques, including X-ray diffraction and spectroscopic analysis, are employed, along with performance evaluations via software calculations and sensitivity assessments.*

Article Abstract

The design of novel energetic compounds constitutes a pivotal research direction within the field of energetic materials. However, exploring the intricate relationship between their molecular structure and properties, in order to uncover their potential applications, remains a challenging endeavor. Therefore, employing multi-molecule assembly techniques to modulate the structure and performance of energetic materials holds immense significance. This approach enables the creation of a new generation of energetic materials, fueling research and development efforts in this field. In this study, a series of coordination compounds are synthesized by utilizing tetranitroethide (TNE) as an anion, which possesses a high nitrogen and oxygen content. The synthesis involves the synergistic modification between metal ions and small molecule ligands. Characterization of the obtained compounds is carried out using various techniques, including single crystal X-ray diffraction, IR spectroscopy, elemental analysis, and simultaneous TG-DSC analysis. Additionally, the energy of formation for these compounds is calculated using bomb calorimetry, based on the heat of combustion. The detonation performances of the compounds are determined through calculations using the EXPLO 5 software, and their sensitivities to external stimuli are evaluated.

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Source
http://dx.doi.org/10.1039/d4dt00830hDOI Listing

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