[HN Gopher] Preparation of a neutral nitrogen allotrope hexanitr...
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       Preparation of a neutral nitrogen allotrope hexanitrogen C2h-N6
        
       Author : bilsbie
       Score  : 34 points
       Date   : 2025-06-16 00:36 UTC (2 days ago)
        
 (HTM) web link (www.nature.com)
 (TXT) w3m dump (www.nature.com)
        
       | gus_massa wrote:
       | Note that "C2h" is the symmetry[1] and "N6" is the chemical
       | formula. Yes, 6 Nitrogen in a line, N-N-N-N-N-N with some weird
       | bounds and internal charges, probably a good candidate to "Things
       | I Won't Work With" in https://www.science.org/blogs/pipeline From
       | the article:
       | 
       | > _Detonation calculation details_
       | 
       | [1] See for example another molecule with a different shape but
       | the same symmetry in https://www.cup.uni-
       | muenchen.de/ch/compchem/geom/sym_C2h.htm...
        
         | bilsbie wrote:
         | Isn't it a ring shape?
        
           | gus_massa wrote:
           | No, it's almost linear with a small glitch in the center
           | https://www.nature.com/articles/s41586-025-09032-9/figures/4
        
             | meepmorp wrote:
             | That's just 3 nitrogen molecules in a trench coat
        
           | rini17 wrote:
           | No, they only mentioned that hexanitrobenzene has too small
           | dissociation energy computed, sadly.
        
       | rich_sasha wrote:
       | > [Nitrogen compounds] are considered promising clean energy-
       | storage materials owing to their immense energy content that is
       | much higher than hydrogen, ammonia or hydrazine, which are in
       | common use, and because they release only harmless nitrogen on
       | decomposition.
       | 
       | What the abstract mentions only sideways is that a key use of
       | these properties is production of explosives - nitroglycerin,
       | trinitrotoluene (TNT) or nitrocellulose (modern gunpowder) come
       | to mind, and indeed, they store a lot of energy. Note all have
       | "nitro" in the name.
       | 
       | At this point I'm not sure you care that only exhaust gas is
       | nitrogen.
        
         | a3w wrote:
         | Hexanitrogen? Nice, but Octanitrocubane is what GURPS promised
         | for TL9.
         | 
         | Found in the warhead table, yes: this is "cleaner" explosives,
         | but military is not spending billions to safe the environment.
         | But get a higher TNT-equivalent per kilogram.
        
           | rbanffy wrote:
           | How many nitrogens do we need to have a chemical primary for
           | a fusion weapon?
        
             | bell-cot wrote:
             | I suspect you'd need about 0.013 M total, based on
             | https://en.wikipedia.org/wiki/Brown_dwarf#Deuterium_fusion
        
               | rbanffy wrote:
               | Looks like a very tiny lump of metallic nitrogen.
               | 
               | Eventually someone will make this.
        
               | AstralStorm wrote:
               | Definitely not, the primer also needs to be somewhat
               | stable.
               | 
               | This is one reason that even azides are not used in this
               | capacity anymore, and metallic nitrogen would be orders
               | of magnitude less stable. Not to mention requiring
               | special conditions to not explode, like a laser trap or
               | extreme pressures.
        
               | rbanffy wrote:
               | Whatever the conditions, if attained, would lead to a
               | virtually undetectable fusion bomb. Nukes for everyone,
               | yay!
               | 
               | A visible amount of the thing wouldn't even need the
               | fission part.
        
         | WJW wrote:
         | While it's true that most explosives use nitrogen-based
         | compounds, only a vanishingly small amount of all nitrogen
         | based compounds are used for military applications. Rough
         | estimates are that about 85% goes to producing fertilizer, most
         | of the rest is for various industrial applications and as a
         | fuel.
         | 
         | Relative to the scale of how much fertilizer humanity uses,
         | there's just not all that much demand for explosives.
        
       | perihelions wrote:
       | - _" decomposition of N6 into three N2 is exothermic (DH0) by
       | 185.2 kcal mol-1"_
       | 
       | That's an impressive amount of energy, 9.2e6 J/kg--on the same
       | order as carbon combustion. Wonder if it's a potential rocket
       | fuel additive (it probably isn't, but fun to ask). By comparison,
       | O3 is "only" 3.0e6 J/kg above diatomic oxygen.
       | 
       | > _" is unlikely to decompose through [quantum mechanical
       | tunneling], with an estimated half-life of N6 of more than 132
       | years at 77 K (Supplementary Table 4). At 298 K, the computed
       | half-life still amounts to 35.7 ms"_
       | 
       | Better hope that fridge doesn't fail.
        
         | WJW wrote:
         | I guess you could have it as some sort of monopropellant? Have
         | some cryogenically cooled N6 flow to the combustion chamber,
         | where it heats up and self-decomposes. Initially you'd have to
         | have some other form of thermal energy input to start the
         | process but once it's going the heat coming off the reaction
         | will trigger further reactions. One downside would be that
         | you'd have much more trouble cooling the engine. Normal engines
         | use the cold fuel and oxidizer flowing around the bell and the
         | combustion chamber to cool them down, but with N6 heating it up
         | before it hits the reaction chamber might be impractical. It
         | would probably be a Bad Thing if it starts self-decomposing
         | while still in the fuel lines...
        
           | rbanffy wrote:
           | You can store it inside the LH2 tank, but you'll need to use
           | it completely before you run out of LH2 or it gets too hot.
           | You might be able to inject it in a cold LH2 feed that
           | doesn't pass by the cooling channels and injects directly
           | into the combustion chamber so any N6 gets flushed into the
           | chamber before the engine runs out of LH2. LH2+N6 needs to
           | flow fast enough it doesn't heat up before it hits the
           | chamber.
           | 
           | Still, one commenter mentioned this is too explosive to be
           | used as an explosive. That kind of warns me against thinking
           | too much about this.
        
       | xmcqdpt2 wrote:
       | The best part is the Methods section, which opens with
       | 
       | > Warning! Silver azide and halogen azides are extremely
       | hazardous and explosive. Such compounds should be handled with
       | utmost care and only in very small quantities (<5 mmol).
       | Appropriate safety precautions (blast screens, face shields,
       | Kevlar gloves, soundproof earmuffs and protective leather
       | clothing) are necessary. Make sure to eliminate static
       | electricity before handling. It is also crucial to avoid friction
       | and light exposure and prevent any contact with metals during
       | sample handling to ensure safety.
       | 
       | That is, please do the synthesis in full armor, in the dark and
       | don't touch anything more than strictly necessary.
       | 
       | Also wear ear protection, because it's still going to go bang.
       | 
       | I like the green energy twist in the intro too. "High-energy
       | materials" is an euphemism chemists engaged in weapons research
       | like to use. I went to some conference talks about high energy
       | materials before, and research presented at those talks was
       | always funded by various defence agencies. But maybe that's just
       | a North American thing, this particular group only acknowledges
       | funding from the innocuous Deutsche Forschungsgemeinschaft.
        
         | greenavocado wrote:
         | Can't help but to think of Azidoazide azide when I see azides
         | mentioned
        
         | HelloNurse wrote:
         | > gas-phase reaction of chlorine or bromine with silver azide,
         | followed by trapping in argon matrices at 10 K
         | 
         | Certainly not a process that can be made simple, safe and
         | efficient for use in a battery: explosives or rocket fuel are
         | the only possible kinds of "clean energy-storage materials".
        
       | _0ffh wrote:
       | > Here we present the room-temperature preparation of molecular
       | N6 (hexanitrogen) through the gas-phase reaction of chlorine or
       | bromine with silver azide
       | 
       | Hmmm, chlorine and bromine - off to a good start - then we come
       | to silver azide.
       | 
       | "Azide" immediately rings all my Derek Lowe bells, and yeah...
       | it's exactly what you'd expect.
        
         | wiredfool wrote:
         | That would be this one: https://www.science.org/content/blog-
         | post/things-i-won-t-wor...
         | 
         | > We're talking high-nitrogen compounds here (a specialty of
         | Klapotke's group), and the question is not whether such things
         | are going to be explosive hazards. (That's been settled by
         | their empirical formulas, which generally look like
         | typographical errors). The question is whether you're going to
         | be able to get a long enough look at the material before it
         | realizes its dream of turning into an expanding cloud of hot
         | nitrogen gas.
        
       | myrmidon wrote:
       | > Compounds consisting only of the element nitrogen [...] are
       | considered promising clean energy-storage materials
       | 
       | They are not actually serious about this, right?
       | 
       | I feel if that directly acknowledging _Klapotke_ of all people is
       | basically a thinly veiled concession that watever you synthesized
       | is too explosive to even be used as an explosive. As seems to be
       | the case here.
       | 
       | Is there even a remotely possibility for this to be _used_ in any
       | practical application?
       | 
       | Noneteless, impressive paper, and getting that abstract into
       | Nature is basically an achievement on its own already.
        
         | AstralStorm wrote:
         | I mean... You could use it in space instead of nukes as a
         | propellant. Probably would be safer to make there too.
         | 
         | Not useful otherwise yet unless there's some special synthesis
         | requiring it that cannot be done in any other way.
        
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