11/10/07

Molecular Orbital Energy Levels

Q.
What is the sequence of molecular orbitals from lower to higher energies? How do you find the bonding order in a small diatomic molecule?
A.
The energy sequence is:
σ1s2, σ1s*2, σ2s2, σ2s*2, π2py2, π2pz2, σ2p2, π2py*2, π2pz*2, σ2p*2
See diagram in
Molecular Orbital Theory
To find the bonding order:
1. Place all the electrons in the diatomic molecule in orbitals following the above sequence (maximum of 2 per orbital)
2. Count the total number of electrons in NONstar molecular orbitals.
3. Count the total number of electrons in star orbitals.
Bonding order = (nonstar total - star total) / 2

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