Challenging the Limitations of Tetranitro Biimidazole through Introducing a <i>gem</i>-Dinitromethyl Scaffold
Shangbiao Feng, Baoseng Zhang, Chunwang Luo, Yang Liu, Shuangfei Zhu, Ruijun Gou, Shuhai Zhang, Ping Yin, Siping Pang
Abstract
A gem -dinitromethyl group was successfully introduced into the TNBI·2H 2 O structure (TNBI: 4,4′,5,5′-tetranitro-2,2′-bi-1 H -imidazole) to obtain 1-(dinitromethyl)-4,4′,5,5′-tetranitro-1 H,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 high-performance energetic material.
Topics & Concepts
ChemistryDetonationImidazoleComputational chemistryStereochemistryPhysical chemistryOrganic chemistryExplosive materialEnergetic Materials and CombustionThermal and Kinetic AnalysisChemical Reactions and Mechanisms