TY - JOUR
T1 - Crystal structure and properties of anhydrous 5-nitroaminotetrazole
AU - Zhao, Chaofeng
AU - Li, Shenghua
AU - Pang, Siping
N1 - Publisher Copyright:
© The Authors, published by EDP Sciences. This is an open access article distributed under the terms of the Creative Commons Attribution License 4.0 (https://creativecommons.org/licenses/by/4.0/).
PY - 2023/5/4
Y1 - 2023/5/4
N2 - 5-Nitraminotetrazole (5-NAT) is a high-energy and green explosive material that has attracted extensive attention due to its short synthesis steps and decomposition products consisting mainly of nitrogen and water. However, the presence of a crystal water molecule in the current crystal structure of 5-nitroaminotetrazole significantly affects its detonation performance and mechanical sensitivity. In this study, we report the successful synthesis of an anhydrous crystal form of 5-NAT through slow volatilization of an ethyl acetate solution under dry conditions. The anhydrous crystal form of 5-NAT exhibited increased density and detonation velocity compared to the monohydrate crystal form. Furthermore, quantum chemical analysis showed that the anhydrous crystal form exhibited increased sensitivity to external force stimulation due to stronger oxygen-oxygen and nitrogen-oxygen repulsion. In conclusion, the anhydrous crystal form of 5-NAT shows promise as a high-energy and green primary explosive.
AB - 5-Nitraminotetrazole (5-NAT) is a high-energy and green explosive material that has attracted extensive attention due to its short synthesis steps and decomposition products consisting mainly of nitrogen and water. However, the presence of a crystal water molecule in the current crystal structure of 5-nitroaminotetrazole significantly affects its detonation performance and mechanical sensitivity. In this study, we report the successful synthesis of an anhydrous crystal form of 5-NAT through slow volatilization of an ethyl acetate solution under dry conditions. The anhydrous crystal form of 5-NAT exhibited increased density and detonation velocity compared to the monohydrate crystal form. Furthermore, quantum chemical analysis showed that the anhydrous crystal form exhibited increased sensitivity to external force stimulation due to stronger oxygen-oxygen and nitrogen-oxygen repulsion. In conclusion, the anhydrous crystal form of 5-NAT shows promise as a high-energy and green primary explosive.
UR - https://www.scopus.com/pages/publications/85159490152
U2 - 10.1051/e3sconf/202338504021
DO - 10.1051/e3sconf/202338504021
M3 - Conference article
AN - SCOPUS:85159490152
SN - 2267-1242
VL - 385
JO - E3S Web of Conferences
JF - E3S Web of Conferences
M1 - 04021
T2 - 2023 8th International Symposium on Energy Science and Chemical Engineering, ISESCE 2023
Y2 - 24 March 2023 through 26 March 2023
ER -