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Chemistry Forums for Students => Inorganic Chemistry Forum => Topic started by: Winga on February 14, 2006, 06:00:21 AM

Title: Carbon monoxide: HOMO
Post by: Winga on February 14, 2006, 06:00:21 AM
According to my two lecture notes, one said the HOMO of CO is a sigma "bonding" orbital formed by C's 2p and O's 2p orbitals (e.g. both are 2px orbitals). While another one said the HOMO is a sigma "antibonding" orbital formed by C's 2s and O's 2s orbitals.

So, which one is correct? (or which one is more preferable?)
Title: Re:Carbon monoxide: HOMO
Post by: Mitch on February 14, 2006, 06:31:21 AM
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Title: Re:Carbon monoxide: HOMO
Post by: Albert on February 14, 2006, 06:49:14 AM
According to my two lecture notes, one said the HOMO of CO is a sigma "bonding" orbital formed by C's 2p and O's 2p orbitals (e.g. both are 2px orbitals). While another one said the HOMO is a sigma "antibonding" orbital formed by C's 2s and O's 2s orbitals.

So, which one is correct? (or which one is more preferable?)

In my opinion, the former is the correct one.
Title: Re:Carbon monoxide: HOMO
Post by: Winga on February 15, 2006, 04:53:06 AM
The energy level of C's and O's atomic orbitals in this diagram are quite similar.

But another one shows that the energy difference is quite large that gives another pattern.

As you know, it is due to electronegative difference between C and O, but in what extent?
If small, properly, it's just same as your case, if large, it will be another case.
Title: Re:Carbon monoxide: HOMO
Post by: Albert on February 15, 2006, 06:06:05 AM
Carbon and oxygen belong to the same period and are quite close to each other.
According to that, I'd say their atomic orbitals have similar energies.
Title: Re:Carbon monoxide: HOMO
Post by: Winga on February 15, 2006, 08:03:57 AM
Here is another version...
Title: Re:Carbon monoxide: HOMO
Post by: Winga on February 15, 2006, 08:12:49 AM
After comparing them, I drew a conclusion...

If CO ligand donates e- density to metal centre through sigma bonding (from sigma* orbital), the bond order of CO will greater than 3 (neglect back pi bonding).

I have never heard about such a bond order of CO, I think yours is correct.