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

摘要

The standard enthalpies of combustion and formation of 7H-tris([1,2,5]oxadiazolo) [3,4-b:3',4'-d:3aEuro(3),4aEuro(3)-f]azepine, its bimolecular crystal with the gamma-polymorph of CL-20, and the gamma-polymorph of CL-20 have been experimentally determined. The standard enthalpies of formation of the bimolecular crystal and an equimolecular mechanical mixture of gamma-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 gamma-CL-20 and increases the thermal stability of gamma-CL-20 in the bimolecular crystal as compared to original gamma-CL-20.