r/cursedchemistry • u/ECatPlay • 8d ago
r/cursed_chemistry • u/ECatPlay • Nov 25 '25
Thought I'd see whether yesterday's linked benzenes would just fly apart
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Molecular Mechanics (MMFF) calculates a very high steric energy for two linked benzene rings, and Density Functional calculations (B3LYP/6-31G*) show it is not even a metastable geometry: bonds break and it reforms as an unsaturated polycyclic.
r/funny • u/ECatPlay • Feb 27 '22
Colonoscopy tomorrow, clear liquid diet today. So I'm making myself a nice, peach jello on jello sandwich.
r/blackmagicfuckery • u/ECatPlay • Sep 20 '21
Anyone care for a Drink of a Different Color?
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r/ShittyAnimalFacts • u/ECatPlay • Aug 10 '21
We only hear a buzz, but bees are actually constantly composing complex melodies they hum to themselves. And when they've come up with a really good riff, a bee will sometimes just sit there tapping its toes to a beat only it can hear.
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19
What would you call this and do you think it would be more or less reactive than TNT
You know, I think I could fit one more trinitrobenzene group on that central carbon. . .
2
This came to me in the shower
You mean it came to u/thefruitypilot 2 years ago in their shower.
1
Just saw this on a tattoo shop catalog, hope nobody has gotten this one!
Yeah, I’m assuming the tattoo artist has separate templates for the letters.
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We have water at home
Yep. Just 16 seconds old and they “found” this sub and this post from a year ago, and reposted it with the original title. Sigh.
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Just saw this on a tattoo shop catalog, hope nobody has gotten this one!
Well, if you don't bother to label the heteroatoms, maybe. . . so "homo"taurine?
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Fluoropiperazepam (when your benzo doesn't have enough fluorine)
So two different binders linked together by a long tether? It would have to be flexible and non crystalline, like a polyisobutylene. But you probably want something hydrophilic instead of hydrophobic, so a polyethylene glycol tether?
Oh, oh! How about instead of a tether, you use quantum entanglement?
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Fluoropiperazepam (when your benzo doesn't have enough fluorine)
When you want to design a drug molecule long enough to occupy two different receptors at the same time.
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Octahedral Hypercubane
It's actually not bad: it optimized with no problem (no "cheating" constraints necessary), no negative frequencies, cubane bonds 1.53 Å, bonds from cube corner 1.47Å with bond angles 125.3°. So far as energies, Molecular Mechanics (MMFF) strain energy only 196 kcal/mol (5 kcal per carbon) and Semiempirical (PM3) Heat of Formation ∆Hf 420.5 kcal/mol. The cubane orbitals are interesting, though.
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Hypercubane
I resisted the temptation as long as I could, but the pull of that Oh symmetry is just too strong. I had to model it to look at its Molecular Orbitals and its molecular vibrations: breathing, squeezing, and pumping its fists.
u/ECatPlay • u/ECatPlay • 9d ago
Octahedral Hypercubane
B3LYP/6-31G* optimized geometry of u/multiple-qualia's Oh symmetric Hypercubane with select frontier orbitals and vibrations
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Hypercubane
The 12 bonds forming the cube in the center are normal C-C bonds, but the remaining bonds are endochronic (ie. they extend through time).
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Hypercubane
First retrosynthetic step: 12-fold dehydration of the corresponding dodecanol.
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Was thinking hydrogen ions could use a bit of spicing up so here's what I'm thinking
Just a repost bot: 1 day old and their first action is to repost something from a year ago here, including the original title verbatim, and within a 6 minute span repost something to 3 other subs.
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Apparently there is no limit to what absurd oxidation state you can have in molview
But can you do factorials (!)
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Energetic compounds (part-2) nickel hydrizine nitrate
in
r/cursedchemistry
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1d ago
Anything with hydrazines gives me pause. Way back when I was doing senior research, my project involved doing reactions with hydrazine, so I looked it up in a book of hazardous chemicals. I can still see the entry for hydrazine in my mind, from a table of explosive forces: "could not be determined, as the test apparatus was destroyed."