Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 26, 2020
Previous Article Next Article

All-nitrogen ion-based compounds as energetic oxidizers: a theoretical study on [N5+][NO3], [N5+][N(NO2)2], [NO2+][N5] and NO2–N3

Author affiliations

Abstract

All-nitrogen ions, viz. N3, N5+, and N5, are hot pieces to construct high-energy-density materials. However, all reported molecules containing these ions exhibit negative oxygen balance, which means that all those materials cannot serve as energetic oxidizers. Herein, we present optimized structures, thermochemical parameters and energetic properties of four new energetic oxidizers, viz. [N5+][NO3], [N5+][N(NO2)2], [NO2+][N5] and NO2–N3, with very high oxygen balances (27.6–36.4%). Due to the presence of all-nitrogen-pieces, all these compounds exhibit extremely high heats of formation of 4.4–5.4 kJ g−1 (410.2–737.8 kJ mol−1), which cause these oxidizers to exhibit good detonation performance (D: 7818–8873 m s−1; P: 25.6–35.6 GPa). It should be noted that all the oxygen balances, heats of formation, and detonation performances of all these energetic compounds were better than those of the state-of-the-art compounds, such as ammonium dinitramide (ADN). Among them, [NO2+][N5] exhibited the best overall performance, thus making it to be a promising candidate as an energetic oxidizer.

Graphical abstract: All-nitrogen ion-based compounds as energetic oxidizers: a theoretical study on [N5+][NO3−], [N5+][N(NO2)2−], [NO2+][N5−] and NO2–N3

Back to tab navigation

Supplementary files

Article information


Submitted
24 Mar 2020
Accepted
05 Jun 2020
First published
08 Jun 2020

New J. Chem., 2020,44, 11188-11195
Article type
Paper

All-nitrogen ion-based compounds as energetic oxidizers: a theoretical study on [N5+][NO3], [N5+][N(NO2)2], [NO2+][N5] and NO2–N3

Q. Sun, P. Wang, Q. Lin and M. Lu, New J. Chem., 2020, 44, 11188
DOI: 10.1039/D0NJ01441A

Social activity

Search articles by author

Spotlight

Advertisements