summary of theoretical energetic molecules

[Anders Hoveland]

I have designed some potential target molecules that may eventually lead to new explosives which are both safer and more powerful. While the synthesis is probably beyond most of the readers here, I nevertheless wanted to share these ideas with the forum.

4-nitro,5,6-triazolo-1,2,3-triazine-2,7-N-dioxide (NTTO), C3N7HO4
may likely be as powerful as octonitrocubane, while being less sensitive than HMX
sites.google.com/site/ecpreparation/ntto


Furoxanyltriazole oxide (FTO), C2N5HO3
could potentially exceed HMX in performance, while being a safer explosive, being significantly more resistant to impact.
sites.google.com/site/energeticscribble/furoxanyltriazole-oxide
sites.google.com/site/ecpreparation/fto

TEAN, C6H9N7O6
a molecule with some similarities to RDX, but with a caged structure. Like another experimental energetic compound, TEX, it should be less sensitive, and somewhat more powerful than RDX. The pressence of a tertiary amine on the molecule opens up the possibilities of even more powerful derivitives, either an N-oxide, or possibly even nitrate salts.
sites.google.com/site/ecpreparation/tean

N,N’-azoxy-4,4’-bis[5-nitro-1,2,3-triazole]-1-oxide
a bridged triazole compound that would be more powerful than HMX, and possibly somewhat more resistant to impact. It should be farily easy to prepare from energetic precursors that are already well described in recent publications.
sites.google.com/site/ecpreparation/oxidizing-antz

4,8-diamino-3,7-dinitro-1,2,5,6-tetraazobicyclo octene (ANTAZBO),
or alternatively the central adjoining double pentagonal-ringed frame could be described as
pyrrolo[2,1-c]-1,2,3-triazole (PT), or even more accurately as
1,2,5,6-tetrazocyclooctatetraene.
The molecular structure can be described as C4N4(NH2)2(NO2)2
This molecule is based on a frame with a similar structure to 3,6-Dinitropyrazolo[4,3-c]pyrazole (DNPP), which is an energetic compound that has already be prepared adescribed in literature. Unlike DNPP, however, the carbons in the center have been switched with nitrogens from the outside, allowing four side groups to be bonded to carbon atoms, instead of only two. This compound should be relatively insensitive, white at the same time having excellent performance, approaching the power of HMX. With 3 nitro groups instead of two, and one less amino group, it would likely be even more powerful than HMX, although it would then be significantly more sensitive, losing some of its resistance to impact.
sites.google.com/site/energeticscribble/1-2-5-6-azobicyclo-octene