Standard Enthalpy of Formation of the Bimolecular Crystal of CL-20 with Tris-Oxadiazolo-Azepine and Its Thermal Stability

Resumo

The standard enthalpies of combustion and formation of 7H-tris([1,2,5]oxadiazolo) [3,4-b:3′,4′-d:3″,4″-f]azepine, its bimolecular crystal with the γ-polymorph of CL-20, and the γ-polymorph of CL-20 have been experimentally determined. The standard enthalpies of formation of the bimolecular crystal and an equimolecular mechanical mixture of γ-CL-20 with azepine differ by less than 12.8 kJ/mol. This small difference is validated by quantum chemical calculations. It has been experimentally found that the presence of azepine in the bimolecular crystal inhibits the thermal decomposition of γ-CL-20 and increases the thermal stability of γ-CL-20 in the bimolecular crystal as compared to original γ-CL-20.