Comparing MO Labelling Schemes: LHS vs. RHS

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SUMMARY

This discussion focuses on the comparison of two molecular orbital (MO) labeling schemes: the Left-Hand Side (LHS) and Right-Hand Side (RHS) schemes. The LHS scheme labels MOs based on the atomic orbitals (AOs) from which they are derived, incorporating designations such as ##\sigma##/##\pi## and ##u##/##g##. The RHS scheme employs a numbering system to distinguish orbitals of the same symmetry, specifically using a sequential numbering format (1, 2, ...) for orbitals like the first and second sigma_g and sigma_u orbitals. Understanding these distinctions is crucial for accurate interpretation of molecular orbital diagrams.

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etotheipi
Two different labelling schemes for MOs are shown on the left and right of this diagram:

1602192168794.png


I understand the LHS naming scheme, since the MOs are simply labelled according to the AOs from which they are derived (along with ##\sigma##/##\pi## and ##u##/##g## for the MO).

I don't understand the numbering scheme on the RHS. The book says that 'orbitals of the same symmetry are distinguished from one another by numbering them 1,2,...'. What does this mean? Thanks.
 
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There is the first sigma_g orbital, the second sigma_g orbital, the first sigma_u orbital, the second sigma_u orbital ... The symmetry is specified here by sigma/pi and the u/g label.
 
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DrDu said:
There is the first sigma_g orbital, the second sigma_g orbital, the first sigma_u orbital, the second sigma_u orbital ... The symmetry is specified here by sigma/pi and the u/g label.

Ah, I see. Thanks!
 

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