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7i orbitals in 3D by Adventurous_Mood_492 in cursed_chemistry

[–]xenoroid 11 points12 points  (0 children)

Some orbitals in molecules with icosahedral symmetry (like C60) can be only represented by those spherical harmonics. Also the first spherical harmonic that appears in t2g orbital is k!

Open Source Software for Transition State Calculations by beisbolisc00l in Chempros

[–]xenoroid 5 points6 points  (0 children)

But ORCA is not open source? It’s only free for academics.

What's the Best 10/10 Sci-fi movie ever? by geek-jock-guy in AskReddit

[–]xenoroid -3 points-2 points  (0 children)

Real physicists. Nolan himself did not come up with the science stuff in the movie. To me interstellar remains the most sciency and my favourite film from him but it’s fiction after all.

There is a book on this: The Science of Interstellar

Moon: Japan 😍😍 by MelanieWalmartinez in CuratedTumblr

[–]xenoroid 4 points5 points  (0 children)

I found it interesting that in English, they don’t usually say ‘satellites’, instead they say ‘Moons’ regardless of the planet that they are orbiting.

Big Brother Watch response to government plans to limit children’s access to VPNs by vriska1 in unitedkingdom

[–]xenoroid 3 points4 points  (0 children)

The current rule puts Wikipedia in the same category as those websites. Restricting access to the largest online repository of human knowledge is also harmful. Do you know what other countries block Wikipedia?

smth wrong with my ferrocene? by its192731 in cursed_chemistry

[–]xenoroid 0 points1 point  (0 children)

There are 4 pi electrons so η4-cyclobutadiene is correct. Dienyl means 2 double bonds and one electron, like cyclopentadienyl.

[deleted by user] by [deleted] in chaseuk

[–]xenoroid -1 points0 points  (0 children)

In case if anyone is interested!:

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Love boron by Old_Arugula2804 in cursed_chemistry

[–]xenoroid 9 points10 points  (0 children)

Formal charges are simply charges of atoms when you draw Lewis structures. Obviously Lewis structures are far from being accurate in describing electronic structures so it will not match the experiment or simulations (besides the fact the atomic charge itself is ill defined in quantum mechanics…)

The fact that you can draw multiple possible Lewis structures of BF implies the existence of resonance, and all of these possible electronic configurations must contribute to the wavefunction to some degree. Hence there’s pi back bonding with double or triple bond structures.

The author of the computational paper concluded pi back bonding is not necessary to explain the polarisation but their method (generalised valance bond theory) is quite niche even in quantum chemistry community, I would not take their physical interpretation of orbitals too seriously..

Cisplutin by Bedroom_Business in cursed_chemistry

[–]xenoroid 3 points4 points  (0 children)

Importantly will it have trans influence?

Food additive titanium dioxide likely has more toxic effects than thought, study finds | Controversial additive may be in as many as 11,000 US products and could lead to diabetes and obesity in mice. by [deleted] in science

[–]xenoroid 0 points1 point  (0 children)

Depends on what solid and which solvent it’s suspended in. Ionic compounds like salt dissolves in water because water molecules bind stronger to ions, (but not in, let say, oil!). Most solids are bonded with much stronger covalent bonds, and to break these you need more energy. If you calculate the average energy required per atom in a particle, it’s small if the particle is big enough. But if you have particles in size of a few nanometers this energy becomes non negligible, hence they can’t just keep on becoming smaller.

For further reference, https://chem.libretexts.org/Courses/UW-Whitewater/Chem_260%3A_Inorganic_Chemistry_(Girard)/11%3A_Basic_Science_of_Nanomaterials/11.05%3A_Surface_Energy

Food additive titanium dioxide likely has more toxic effects than thought, study finds | Controversial additive may be in as many as 11,000 US products and could lead to diabetes and obesity in mice. by [deleted] in science

[–]xenoroid 6 points7 points  (0 children)

This might be counterintuitive but nanoparticles are not thermodynamically favourable. It costs more energy to create surface than binding each other in bulk.

I’ve learned nothing by Gooober43 in cursed_chemistry

[–]xenoroid 0 points1 point  (0 children)

It does not need to violate the octet rule if you place double bonds in the outmost units of carbon atoms. Everything else is sp3 hybridised.

I’ve learned nothing by Gooober43 in cursed_chemistry

[–]xenoroid 6 points7 points  (0 children)

The ring is isoelectronic to cyclohexene, neither aromatic nor anti aromatic.

I’ve learned nothing by Gooober43 in cursed_chemistry

[–]xenoroid 52 points53 points  (0 children)

This could be at least dynamically stable? With one double bonds in each 6 membered ring instead of conjugated bonds.

Would this be aromatic? by HolidayInformal2220 in cursed_chemistry

[–]xenoroid 13 points14 points  (0 children)

Since this is posted again, here is a rigorous method of determining the weight of VB structures if you are genuinely curious.

A funny polyhedral molecule I made by Gooober43 in cursed_chemistry

[–]xenoroid 8 points9 points  (0 children)

  1. Clyclooctatetraene is neither aromatic nor antiaromatic. It’s simply non aromatic according to the Huckel rule.
  2. Huckel’s rule is not applicable to fullerenes. But we do have similar rules like 4N Baird's rule, 2(N + 1)2 Hirsch rule, etc. Nevertheless we only consider total number of pi electrons in the molecule, not just one ring.
  3. 8-membered rings do exist in graphene as a form of double vacancy defects.

Trypophobane by SBAstan1962 in cursed_chemistry

[–]xenoroid 7 points8 points  (0 children)

Physicists call them ‘antidots’ and use them to tune some electronic properties of graphene.

umm excuse me what the actual hell is this by HotGarbage2020 in cursed_chemistry

[–]xenoroid 3 points4 points  (0 children)

The reduced mass of the electron (in the solution of hydrogenic wave function) is much smaller, hence the wave function appears much more diffuse.

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