The molecular-orbitals tag has no wiki summary.
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Predicting molecular geometry from a formula
Can someone explain the following types of molecules and predict their structure and shape?
It will help my understanding if you could provide an example.
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Resonance structure and hybridisation
I was given the first structure, and then drew the other 5 resonance structures.
First of all, are they correct? ChemBioDraw had some complaints, but as far as I can see there's the same amount of ...
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Energies of atomic orbitals on molecular orbital diagrams
When we plot molecular orbital diagrams we use a linear combination of atomic orbitals.
Where can I find the energies of particular atomic orbitals?
In the picture below, the energies of 2s and 2p ...
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How does expansion of electron shells work?
How does it work? I've read that its about the similarity of the energy levels of $3d$ and $3p$, but shouldn't the electron shell $4s$ be filled before $3d$ if filled? So what is done with the $3d$?
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Bonding and anti-bonding orbitals in the light of time-dependent Schrödinger equation?
In organic chemistry, people draw 2p orbitals like this:
and then they explain how the orbitals combine to non-bonding (π*) or bonding (π) molecular orbitals, like this:
depending on whether the ...
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Why are these molecular orbitals invalid for hexatriene?
Here are the MOs (more accurately, the breakdown of the MOs) for conjugated hexatriene:
Now, when first asked to draw the MOs myself, I drew this one for $\psi_3$:
It still has two nodes, and is ...
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Carbon with 5 bonds?
I've heard that, even though according to Molecular Orbital Theory there is no chance of having nobel gases bonded to each other, it is not totally impossible. For example, under extreme conditions, ...
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Help understanding localized bonding theory
So I understand molecular orbitals and how to do VSEPR models, but I seem to be struggling with understanding localized bonding theory and how to do hybridizations. After drawing the initial lewis ...
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Molecular and Atomic Orbitals and Antibonding
When two atomic orbitals make one molecular orbital there must be an antibonding orbital also. Why should they make also an antibonding molecular orbital.
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What is the chemical structure of H₂SO₄?
I was looking at the chemical structure of H2SO4.
Intuitively, I would have expected this molecule to be square planar in a p2d2 or sp2d geometry but rather, it is shown to be in an tetrahedral ...
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Hierarchy of electronic wavefunctions
The previous question contained too much unnecessary information and was edited.
I am wondering about the "hierarchy" of wavefunctions. If one can combine atomic orbitals (AO) into molecular orbitals ...
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1answer
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MO-Scheme of $\ce{SCN-}$ and its bonding properties when used as a ligand
I tried to figure out the MO-scheme of the tetragonal-bipyramidal complex trans-$\ce{[Co(en)2(NCS)2]SCN}$ in which the isothiocyanate ligands are bound to the $\ce{Co^3+}$-Ion in $\eta^{1}$-mode (en = ...
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Bonding in $\ce{C2}$, a carbon-carbon quadruple bond?
Carbon is well known to form single, double, and triple C-C bonds in compounds. There is a recent report (2012) that carbon forms a quadruple bond in diatomic carbon, $\ce{C2}$. The excerpt below is ...
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Is the Springborg 6D phase space model used in modern molecular orbital modeling?
In a series of papers in the early 1980s, Michael Springborg explored an interpretation of the Wigner phase space function as an electron density in a six-dimensional $(q,p)$ phase space. He applied ...
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Why is the benzyne triple bond distorted?
In many places I've seen the "extra" bond in benzyne being labelled as $sp^2-sp^2$ overlap or distorted (not parallel) $p\pi-p\pi$ overlap. But I've failed to see why we can't have a normal, parallel ...
