All Questions
Tagged with physical-organic-chemistry molecular-orbital-theory
5
questions
2
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0
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Why is cyclohexane more polarizable than benzene?
Looking at figure 4.2 here, we can see experimentaly that cyclohexane is more polarizable than benzene.
Why is this the case?
Intuitively, I would think that because the orbitals in benzene are more ...
- 31
3
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0
answers
255
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Can cycloaddition reactions be antarafacial?
Cycloaddition reactions of the form [4+2] and [2+2] are always suprafacial, as the geometry is too constrained to allow for antarafacial interaction between the FMO's. However, for cycloaddition of ...
- 6,278
6
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How do bonds rotate in pericyclic reactions?
In Pericyclic reactions, it is shown that the terminal bonds rotate (conrotation or disrotation) to allow for allignment of the FMO's, thereby forming the sigma bond
However, a detail that most of my ...
- 6,278
4
votes
1
answer
610
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Overlap integrals in Hückel theory
In Hückel theory we are only interested in π systems, where $\mathrm p_z$ orbitals overlap. One of the approximations in Hückel theory is that the overlapping $\mathrm p_z$ orbitals are orthonormal:
$...
- 302
4
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1
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958
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How do we obtain the π molecular orbitals for allene via Hückel theory?
For a conjugated system, for instance 1,3-butadiene, we can try to obtain the π molecular orbital energies and wavefunctions via Hückel theory. In our given molecule, there are 4 interacting Pz ...
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