Sir i need help for understanding symmetry elements which is the basis of group theory.i have read many books containing this subject , however i can't imagine these elements.please help me.thanking you?

1 Answer
Jan 6, 2017

Many good group theory texts should have images... but this website is great for additional visualization practice. Bookmark it! You can perform the operations by clicking the button next to the symmetry element.

Also, you will find this website useful later; it'll help you check your reduced reducible representations, so keep this website in mind as well. For instance, D_(4h) can be a pain to work with, and this page helps immensely.

Symmetry operations can be categorized in general as:

  • Identity, hatE, symmetry element = E (nothing)
  • Rotation, hatC_n, symmetry element = C_n (an axis)
  • Reflection, hatsigma, symmetry element = sigma (a plane)
  • Inversion, hati, symmetry element = i (a dot)

We can use "NH"_3 (C_(3v) point group) and cyclobutane (D_(4h) point group) as examples (because they're on Otterbein).

Note: hatR is the symmetry operation, and R is its symmetry element.

IDENTITY

The identity operation hatE is rather simple. It is otherwise known as the "do nothing" operation.

There really is no point in identifying what the symmetry element E is for this (because you don't have to use a symmetry element to perform a "do nothing" operation).

ROTATION

The rotation operation, hatC_n, rotates the molecule (360^@)/n degrees so that the new orientation is identical to the previous orientation, and its symmetry element is the C_n axis.

For example, "NH"_3 has a C_3 axis through the nitrogen's lone pair:

![symmetry.otterbein.edu)

When you rotate "NH"_3 so that you see a top-view, the definition of C_3 will become more apparent:

![symmetry.otterbein.edu)

From this angle, it is more noticeable that you can rotate (360^@)/3 = 120^@ to return the same molecular orientation. In other words, it has a three-fold rotation axis C_3, demonstrable through the hatC_3 rotation operation.

REFLECTION

The reflection operation, hatsigma, has three variations: hatsigma_v (vertical), hatsigma_h (horizontal), and hatsigma_d (dihedral/diagonal). Obviously, the symmetry element is the plane itself.

  • sigma_v is colinear with the principal C_n axis (of the highest n), and lines up with an outer atom.
  • sigma_h is perpendicular to the principal C_n axis.
  • sigma_d bisects two outer atoms, crossing through the center of the molecule, and is in between two sigma_v planes. It must not directly line up with an outer atom (otherwise it is sigma_v).

Cyclobutane ("C"_4"H"_8) is a nice example that has all three of these elements (its C_4 axis is through the plane formed by the four carbons):

![symmetry.otterbein.edu)

ROTATION-REFLECTION (IMPROPER ROTATION)

This is its own operation, hatS_n, the improper rotation (rotation-reflection), but it really is just a combination of rotation and reflection in either order.

For example, hatS_4 is really the compound operation hatsigma_h hatC_4, i.e. we rotate 360^@/4 = 90^@ around the principal rotation axis (C_4), and then reflect through the horizontal plane (sigma_h).

You should convince yourself though that hatS_2 is really the same as hati, which we'll talk about next.

INVERSION

The inversion operation hati may be the hardest to visualize, with a symmetry element i that is a dot at the center of the molecule.

The easiest way I can think of to describe it is that it takes the coordinates (x,y,z) and transforms them into (-x,-y,-z). In other words, take each coordinate and change its sign.

Here's an example of inversion with a molecule that doesn't have inversion symmetry, like "NH"_3:

This is hard to visualize for molecules with inversion symmetry, because it looks like it does nothing. Practice with this one.