Synthesis, characterization, thermal and computational studies of novel tetra–azido compounds as energetic plasticizers

Abstract

In this paper, four azido compounds have been synthesized and characterized as new energetic plasticizers. Nuclear magnetic resonance (NMR) and infrared (IR) spectroscopy, elemental analysis, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and differential thermal analysis (DTA) have been used to identify and determine the properties of the synthesized plasticizers. The plasticization effect of plasticizers on glycidyl azide polymer (GAP) has been investigated by viscosity measurements and thermal analysis of the prepolymer–plasticizer mixtures and plasticized binders. The plasticized mixtures were cured by a diisocyanate curing agent and the glass transition temperature and decomposition temperature of the cured polyurethane binders were measured. Thermal analysis of the prepolymer–plasticizer and cured polymer mixtures showed that the synthesized plasticizers are completely compatible with the GAP binder and have a very good plasticizing effect. Furthermore, equilibrium geometry and heats of formation of each of the plasticizer molecules were obtained using the thermochemical T1 recipe, which is available in wave function Spartan software. Comparing empirical heats of combustion and calculated heats of combustion by using the heats of formation showed that the suggested optimum molecular structure by the T1 recipe has a high similarity to the real molecular structure of these molecules.