Chemistry Molecular Orbital Theory: Why is There Mixing?

AI Thread Summary
Molecular orbital theory explains that orbital mixing occurs when atomic orbitals combine to form molecular orbitals, but this mixing is not uniform across all elements. In diatomic molecules like B2, the sigma 2p bonding orbital is promoted to a higher energy level due to mixing with s and p orbitals, while in O2 and F2, this mixing does not occur in the same way. The key factor influencing whether mixing happens is the energy levels of the orbitals involved and the specific electron configurations of the elements. Understanding the conditions under which mixing occurs can clarify the behavior of molecular orbitals in different diatomic molecules. Overall, the presence or absence of orbital mixing is determined by the relative energy levels and interactions of the atomic orbitals involved.
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Hi guys i came across molecular orbital theory and i don't understand why sometimes there is orbital mixing. For example B,C,N have no orbital mixing while O,F have orbital mixing. May i know how to know when there is orbital mixing?
 
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Perhaps my English fails me - what do you mean by "mixing"? Molecular orbitals are always linear combinations of the atomic orbitals, so in each molecule - regardless of the elements involved - atomic orbitals are "mixed" to create molecular orbitals.

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Hi borek! I meant if you are using molecular orbital theory to explain diatomic molecule like B2 the sigma 2p bonding orbital will be promoted to a higher energy level then the pi 2p bonding orbital due to mixing of s and p orbitals. But I don't understand why this does not apply for O2 or F2.
 
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