Computational Access to 1,3,5,6,7‐Pentanitro‐3,6,7‐Triazabicyclo‐[3.1.1]‐Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance
A novel cage nitramine, and potential explosive, 1,3,5,6,7-pentanitro-3,6,7-triazabicyclo-[3.1.1]-heptane (UIX) with a zero-oxygen balance was designed. It has a high crystal density (ρ = 1.978 g/cm<sup>3</sup>), and outstanding propulsive and detonation properties (Isp(s)<sub>neat</sub> = 269.61; ρIsp(g cm<sup>-3</sup> s)<sub>neat</sub> = 533.29; P = 42.55 GPa, D = 9620 m/s), with good sensitivity (h<sub>50</sub> = 9.06 cm) and promising kinetic stability as CL-20. Additionally, a synthesis route for UIX is proposed.
Authors
- Jean’ne M. Shreeve (ORCID: https://orcid.org/0000-0001-8622-4897)
- Haixiang Gao (ORCID: https://orcid.org/0000-0003-0353-3083)
- Sohan Lal (ORCID: https://orcid.org/0000-0001-5122-3288)
Institutions
- University of Idaho (US)
- China Agricultural University (CN)
Publication Details
- Journal
- Chemistry - An Asian Journal
- Published
- 2025-05-14
- DOI
- https://doi.org/10.1002/asia.202500290
- Primary Topic
- Energetic Materials and Combustion
- Type
- article
- Field-Weighted Citation Impact
- 0.00