Abstract
The synthesis and characterization of a series of 3,5-di-aryl-1,2,4-oxadiazoles are reported and the effects of nitro groups in the aromatic rings on the experimental heats of decomposition (Delta H-d) and heats of combustion (Delta H-c) are evaluated. Heats of formation (Delta H-f) and densities (rho) were calculated and correlations between Delta H-d and Delta H-f were assessed for these compounds. Experimental determination of rho (by gas pycnometry) on a selection of the compounds led to the calculation of detonation velocity (V-D), detonation pressure (P-D) and specific impulse (I-SP) parameters by the Explo 5 program. An X-ray analysis of compound (4i) confirmed the structure and showed a crystal density (at 120 K) close to that determined by gas pycnometry.