Computational study on nitronium and nitrosonium oxalate: potential oxidizers for solid rocket propulsion?

The enthalpies of formation for solid ionic nitrosonium oxalate, [NO](2)[O(2)C-CO(2)], nitronium oxalate, [NO(2)](2)[O(2)C-CO(2)], as well as covalent bis(nitroso)oxalic acid, ON-O(2)C-CO(2)-NO, and oxalic acid dinitrate ester, O(2)N-O(2)C-CO(2)-NO(2), were calculated using the complete basis set (CBS-4M) method of Petersson and coworkers to obtain very accurate energies. For the nitrosonium species, the ionic form ([NO](2)[O(2)C-CO(2)]) was identified as the more stable isomer, whereas for the nitrosonium compound, the covalently bound dinitrate ester (O(2)N-O(2)C-CO(2)-NO(2)) was found to be more stable. The combustion parameters with respect to possible use as ingredients in solid rocket motors for both stable species were calculated using the EXPLO5 and the ICT code.

Photothermal initiation of hybrid organic/inorganic metastable interstitial composites: synergistic effects on the dynamics of energy release.

The organic high-energy material pentaerythritol tetranitrate (PETN) was incorporated at low concentrations into Al (100 nm)/Fe(2)O(3) metastable intersitital composites (MIC) to form a hybrid organic/inorganic high-energy material. Studies of the dynamics of energy release were carried out by initiating the reaction photothermally with a single 8 ns pulse of the 1064 nm fundamental of a Nd:YAG laser. The reaction dynamics were measured using time-resolved spectroscopy of the light emitted from the deflagrating material.