3,3-Bis(difluoroamino)-1,5-dinitratopentane was used as energetic plasticizer with improving energy properties and low glass transition temperature. To obtain more new difluoroamino energetic compounds with similar sturctures, a series of 3,3-bis(difluoroamino)-1,5-substituted-pentane derivatives were designed as candidates of novel energetic plasticizers. The heats of formation (HOFs), electronic structure, energy property and thermal stability were studied using density functional theory (DFT) method. The difluoroamino groups can increase energy gaps of electronic structure, density and detonation properties among the title compounds. Especially, 1,3,3,5-tetra(difluoroamino)pentane (S 3) has given outstanding values of potential energetic plasticizer. Its crystal density (1.91 g/cm 3), detonation velocity (9.01 km/s), detonation pressure (37.31 GPa) and impact sensitivity (h 50 29.83 cm) are very close to those of cyclotetramethylenetetranitramine (HMX). Furthermore, S 3 can be synthesized via some mature processes in five steps.
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