Solution to Inorganic Problem 3.25: Explaining D6h Symmetry of C6O6 2- Anion

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SUMMARY

The C6O6 2- anion exhibits D6h symmetry, as established through the analysis of its vibrational modes using character tables. The process involves determining the characters of the representation in the atom basis and breaking them down into irreducible representations with the D6h character table. By taking the direct product of the atom basis representation with the vector representation in D6h symmetry, one can identify the vibrational modes' symmetries. The IR active modes correspond to the coordinates' transformation, while Raman active modes relate to quadratic combinations of coordinates.

PREREQUISITES
  • Understanding of D6h symmetry and its character table
  • Familiarity with irreducible representations in group theory
  • Knowledge of vibrational spectroscopy, specifically IR and Raman spectroscopy
  • Proficiency in using character tables for symmetry analysis
NEXT STEPS
  • Study the D6h character table in detail
  • Learn how to derive irreducible representations from reducible representations
  • Explore the principles of vibrational spectroscopy, focusing on IR and Raman active modes
  • Practice symmetry analysis on other molecular structures using character tables
USEFUL FOR

Chemistry students, particularly those studying inorganic chemistry, molecular symmetry, and vibrational spectroscopy, will benefit from this discussion.

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Homework Statement



I am trying to explain why an anion C6O6 2- would have the symmetry D6h. The problem gives you all of the IR and Raman absorptions and asks to explain why D6h is the proper symmetry for C6O6 2- anion.

For you reference the problem is 3.25 in "Inorganic Chemistry" written by Huhney(sorry if i spelled your name wrong)

Homework Equations





The Attempt at a Solution



Do you use character tables to figure this out? Or do I really have to go through the whole process of finding the irreducible set from the reducible set?
 
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telethrow said:
Do you use character tables to figure this out? Or do I really have to go through the whole process of finding the irreducible set from the reducible set?
Yes and Yes.
The process is tedious, but not particularly difficult. First, figure out the characters of the representation in the atom basis. Break this down into irreducible representations using the D6h character table. Then, in order to figure out the symmetries of the vibrational modes of the molecule, you need to take the direct product of the atom basis representation with the vector representation in D6h symmetry. (The nice thing about using characters is that you can just multiply them directly). Finally, this will give you a collection of irreducible representations that correspond to the vibrational mode symmetries. The IR active modes are the ones that transform like the coordinates (because of the form of the dipole moment operator), and the Raman active modes transform like the quadratic combinations of the coordinates (because of the form of the polarizibility operator).
 

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