Energetic isomers of bridged oxadiazole nitramines: the effect of asymmetric heterocyclics on stability and energetic properties
Sicheng Liao, Tianlin Liu, Zhiyu Zhou, Kangcai Wang, Siwei Song, Qinghua Zhang
Abstract
= 34.1 GPa) to highly explosive RDX. A comparative study of detonation properties, sensitivity, and thermal stability of the three oxadiazole nitramine isomers (NOON, ICM-101, and DNBO) is carried out. The results show that due to the proton transformation, strong intramolecular hydrogen bonding interaction, and formation of six-membered ring conformation, the 2-nitramino-1,3,4-oxadiazole building block exhibits better detonation properties and higher thermal stability than its isomer 2-nitramino-1,2,4-oxadiazole.
Topics & Concepts
OxadiazoleDetonationChemistryThermal stabilitySensitivity (control systems)Computational chemistryMaterials scienceOrganic chemistryExplosive materialEngineeringElectronic engineeringEnergetic Materials and CombustionThermal and Kinetic AnalysisCombustion and Detonation Processes