# How to Determine the Irreducible Representation of a MO

## Five Slides About

Submitted by Richard Lord, Grand Valley State UniversityFive slides about how to systematically determine the irreducible representation if provided an unlabeled SALC. These slides focus on molecular orbitals, but this tool can be extended to any kind of SALC.

Attachment | Size |
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5SlidesAbout_DetermineIrredRepMO.pptx | 270.7 KB |

Students should be able to:

- determine the dot product between two atomic orbitals (AOs) or molecular orbitals (MOs)

- calculate a character for a MO under each symmetry operation based on dot products

- assign the irreducible representation for a MO based on the calculated characters

Students need to be familiar with symmetry operations, point groups, and the concept of molecular orbitals being expressed as a linear combination of atomic orbitals. It is helpful to use a literature example or computed MOs as motivation for an example where symmetry labels may not exist, as up to this point they have probably only seen SALCs after generating them with projection operators. A literature example that you can implement in a homework set, or on an exam, is linked to this LO (*placeholder for when my other LO is approved*).