NTB – A green energetic molecule with extreme performance

• NTB (bis[2,2-dinitro-2-(5-nitrotetrazol-2-yl)ethyl]nitramide) emerges as a green energetic compound capable of theoretically surpassing the 10,000 m/s detonation velocity threshold, reaching an estimated 10,100 m/s at maximum density. • Although other dense zero-oxygen-balance candidates ( TTTO, ONC , and DAF ) outperform the best industrial energetic materials, only NTB approaches the high detonation pressure regime of 50 GPa. • NTB ’s exceptional performance is offset by its high sensitivity and poor thermal stability, limiting practical use but demonstrating that rational design can yield next-generation energetic molecules. The performance of four modern zero oxygen balance green energetic compounds was evaluated as potential candidates for the next generation of autonomous miniature aerospace applications. These compounds were [ [1] , [2] , [3] , [4] ]tetrazino[5,6-e][1,2,3,4]tetrazine-1,3,6,8-tetraoxide ( TTTO ), octanitrocubane ( ONC ), 4,4′-dinitro-3,3′-azofuroxan ( DAF ), and bis[2,2-dinitro-2-(5-nitrotetrazol-2-yl)ethyl]nitramide ( NTB ). A comparative evaluation confirms that all these compounds marginally outperform the best industrially produced energetic compounds, but only one, NTB , can (in theory) break the 10,000 m/s detonation velocity and 50 GPa detonation pressure barriers. However, the high sensitivity associated with its extreme performance presents a significant challenge for practical applications.