All Questions
6
questions
2
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0
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Is there a better coordinate framework and symmetry operator for constructing molecular orbitals of molecules with higher-order geometry?
The following excerpt is taken from [1] (with a few rewording, emphasizes are mine).
In an attempt to construct molecular orbital (MO) of any molecule, one needs to determine the symmetries of ...
- 639
4
votes
0
answers
89
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Symmetry Operation on Product of Functions
In regards to direct product representations, I'm trying to find a proof for:
$R(X_iY_j)=R(X_i)R(Y_j)$
Where $R$ is a symmetry operation of a group and $X_i$ and $Y_j$ are members of different basis ...
- 41
0
votes
0
answers
107
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Symmetries and degeneracies of the s,p, and d orbitals
Consider the molecular AB_8 (complex with central atom A and 8 B ligands (coordination number 8), for which I determined the point group D_4d) and determine the symmetries and degeneracies of the s, p,...
- 341
25
votes
1
answer
4k
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What is the mathematical basis behind the Jahn-Teller effect?
Both first-order and second-order Jahn-Teller distortions play a very important role in chemistry.
It is often said that the Jahn-Teller effect is based on symmetry arguments, and hence nothing can ...
- 71.6k
8
votes
1
answer
3k
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Determination of +/- reflections in sigma molecular term symbols
This page, which depicts the molecular term symbols for the $\ce{O2}$ and $\ce{O2-}$ (Edit: Mistaken on $\ce{O2-}$) molecules, perhaps best summarizes the full scope of my questions. In general, I don'...
- 1,648
2
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2
answers
5k
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Symmetry representations for acetonitrile (CH3CN)
Can anybody share the symmetry labels for acetonitrile ($\ce{CH3CN}$), please?
I mean to assign the symmetry labels to orbitals of acetonitrile
