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Questions tagged [symmetry]

The description of the symmetry present in molecules. Molecular symmetry is useful for explaining or predicting of a molecule's chemical properties.

2 votes
0 answers
65 views

Amplitudes and phases of transform of an image

I have recorded an image of a large macromolecule and after several types of image analysis, have obtained a rotationally averaged image, that is not quite perfect, but appears to show 6-fold symmetry....
7 votes
3 answers
2k views

Does symmetry lower the energy of molecules?

Why does nature "prefer" symmetry? Why is symmetry energy-lowering? I keep hearing statements along the lines of this tossed around by chemists. Here are some examples: https://physics.stackexchange....
2 votes
0 answers
357 views

Equivalent points for 3 fold and 6 fold symmetry

In a crystal Lattice how to find the equivalent points for 3 fold and 6 fold symmetry?
6 votes
3 answers
3k views

Why does symmetry have to be maintained in molecular orbitals?

Using the example of $\ce{XeF4}$: What is the physical explanation enforcing the symmetry of the $\ce{1b_{1g}}$ orbital on the fluorine atoms? Why isn't the symmetry of a nonbonding orbital arbitrary?...
34 votes
1 answer
10k views

When is it true that more nodes equals higher energy?

Consider all the MOs of some isolated molecule. (It could be a single atom too; I'll use MO to refer to AOs as well.) Number them in increasing order of the number of nodes (node = surface where the ...
6 votes
2 answers
164 views

Accessible statement on the intuition and usefulness of group theory to chemistry

I am writing a lesson plan for high school students who are studying group theory, and I am having difficulty in relating the subject matter to the real world. I have quite a few examples using the ...
11 votes
2 answers
8k views

How does one recognized Td/Oh symmetry in molecules?

The identification of point groups of a molecule is usually done following a strict scheme, either manually or algorithmically. In all textbooks I could find, however, the first step of the scheme is ...
7 votes
1 answer
8k views

How do I determine the crystal field splitting for an arbitrary point group?

How can I figure out the degeneracy of the d orbitals for a site that has a given point group? Specifically I'm interested in $D_{3d}$ and $D_{3h}$, but it would be good to know how to do it in the ...
5 votes
0 answers
488 views

Determining the lowest rank non-vanishing multipole moment [closed]

I have been told that the multipole moments of rank 0,1,2,3,...n have respectively 1,3,5,7,...2n+1 components which transform like the spherical harmonics of rank 0,1,2,3,...n. How do I use the ...
0 votes
1 answer
240 views

An example to illustrate the difference between an inversion operation and a twofold rotation

Reading in Atkin's Inorganic Chemistry book, I cam accross: Although an inversion and a twofold rotation may sometimes achieve the same effect, that is not the case in general and the two ...
7 votes
1 answer
960 views

Are these two space groups in a group–subgroup relationship?

Given two crystal space groups, how can one determine if they are in a group-subgroup relationship? The specific case at hand is P 21/m 2/m 2/a (aka P m m a, #51) and P m m 2 (#25), but knowing how to ...
8 votes
2 answers
431 views

Are all cubic point groups encountered?

My symmetry lecture notes state that there are seven high-symmetry 3D point groups, which have more than one rotation axis of order greater than 2: $T$, $T_d$, $T_h$, $O$, $O_h$, $I$, $I_h$. I ...
6 votes
2 answers
182 views

Is a 2-D periodic structure isomorphic with the surface of a torus, a sphere, neither or both?

When I was reading through the ADF-BAND tutorials, one of the toy systems presented was a 1-D periodic structure involving 3 collinear hydrogen atoms. The tutorial pointed out that, topologically ...

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