Molecular beam-sampled laser pyrolysis of dimethylnitramine

Comparative computational analysis of some nitramine and difluoramine structures, dissociation energies and heats of formation

“…We do find the N-NF 2 bonds to be somewhat stronger than the N-NO2. Since the cleavage of the N-NO2 bond is believed to play a key role in the decomposition of many nitramines [20,21,[29][30][31][32], it may be that the replacement of >N-NO2…”

Computational analysis of some possible initial steps in the unimolecular thermal decompositions of 1,3-diazacyclobutane and its 1,3-dinitramine derivative

“…However it seemed appropriate to also look at the As mentioned earlier, an analogous rearrangement is believed to play an important role in the thermal decompositions of dimethylnitramine [13] and nitramide [ 14]. Furthermore, our vibrational analysis of IV reveals that the 3a2 mode (Fig.…”

“…This is indeed a rather weak bond, its dissociation energy in various nitramines being estimated as 40-50kcal/mole [3,14,15]. However, there is also evidence of other competing decomposition pathways which may sometimes predominate [2,5,6,10,13,14]. For example, laser pyrolysis [13] and quantum chemical [14] investigations of the decompositions of dimethylnitramine and nitramide, respectively, indicate that nitro-nitrite rearrangement is competitive with N-NO2 bond scission.…”

“…However, there is also evidence of other competing decomposition pathways which may sometimes predominate [2,5,6,10,13,14]. For example, laser pyrolysis [13] and quantum chemical [14] investigations of the decompositions of dimethylnitramine and nitramide, respectively, indicate that nitro-nitrite rearrangement is competitive with N-NO2 bond scission. In the case of RDX (I), it has been inferred from an infrared multiphoton dissociation (IRMPD) study that the main primary decomposition channel is the concerted symmetric ring-fragmentation shown in Eq.…”

The mechanisms for desensitization effect of synthetic polymers on BCHMX: Physical models and decomposition pathways

“…Instead, a large amount of HNO, HNO 3 and NO 3 are formed. The BCHMX molecules may partially undergo HNO elimination due to nitro-nitrite rearrangement, which was firstly found in decompostion of N-nitrodimethylamine at 877 • C [74]. The formation of CON due to breakage of ring structure is another proof for nitro-nitrite rearrangement under such high temperature.…”