Chemistry Molecular orbital theory of heterodiatomics?

AI Thread Summary
The order of molecular orbitals (MOs) in heterodiatomics can differ from homodiatomics due to variations in atomic sizes and electronegativities, affecting orbital energy levels. In heterodiatomic molecules like NO, the MO order may be represented differently, such as using 1σ and 1σ* instead of 1σ and 2σ. This discrepancy arises from the need to account for the differing contributions of each atom's orbitals. Understanding these differences is crucial for accurately predicting molecular behavior and bonding characteristics. A clear distinction in MO ordering is essential for studying heterodiatomic molecules effectively.
Justhanging
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Homework Statement


What determines the order of the Molecular orbitals in heterodiatomics?

The Attempt at a Solution


In my book, I have NO with an order of

1s 2s 3s 1p 2p 4s

Where s means sigma and p means pi.

Also sometimes I see in the book the ordering being 1sigma, 1sigma*(antibonding) instead of 1sigma, 2 sigma like in NO. Is this difference caused by homodiatomics versus heterodiatomics?

I know the order of homodiatomic MO but I don't know how to find it for heterodiatomics. Can someone clarify this? Maybe its a convention or something.
 
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