A gem-dinitromethyl group was successfully introduced into the TNBI•2H 2 O structure (TNBI: 4,4′,5,5′-tetranitro-2,2′-bi-1Himidazole) to obtain 1-(dinitromethyl)-4,4′,5,5′-tetranitro-1H,1′H-2,2′-biimidazole (DNM-TNBI). Benefiting from the transformation of an N-H proton into a gem-dinitromethyl group, the current limitations of TNBI were well solved. More importantly, DNM-TNBI has high density (1.92 g•cm −3 , 298 K), good oxygen balance (15.3%), and excellent detonation properties (D v = 9102 m•s −1 , P = 37.6 GPa), suggesting that it has great potential as an oxidizer or a highperformance energetic material. Letter pubs.acs.org/OrgLett

A series of nitrogen-rich fused ring energetic compounds assembled with different numbers of tetrazole rings were achieved by the classic Dimroth rearrangement (DR) reaction. The DFT calculations of reaction were...