Chemical Forums
Chemistry Forums for Students => Inorganic Chemistry Forum => Topic started by: blaisem on January 26, 2014, 11:41:28 AM
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Hello, I was wondering why the t1u* orbital is higher energy than the a1g* orbital, while the opposite is true for their corresponding bonding molecular orbitals. For the bonding case, I understand that the overlap is better, leading to a lower energy a1g orbital, but the reverse is true for the antibonding case?
Thank you!
Attachment from Wikipedia commons
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This is a response to my own question, for which I have a theory that I think might be right. The energies of the initial orbitals in qualitative molecular orbital diagram are ordered based on their electronegativity or closeness to the nucleus. If the p-orbital is higher in initial energy, and its splitting is similar in magnitude to the s-orbital, then it's possible that the t1u bonding orbital is higher in energy than the a1g bonding orbital, while the opposite is true for their antibonding orbitals.
Seems to make a lot of sense. I just didn't want to leave the question unanswered if I thought I had a reasonable explanation. It's all pretty qualitative, so maybe I am just thinking things through too much for this case.
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I assume that the diagram is not quantitavley correct, that's why I wouldn't hurt my head with too lot of thinking... It's also not important at all for the chemistry. An Answer would need more calculations.