Molecular Orbital Theory: Why is There Mixing?

In summary, the conversation discusses the concept of orbital mixing in molecular orbital theory. The individual is curious about why some elements, like B, C, and N, do not exhibit orbital mixing while others, like O and F, do. The other person in the conversation explains that molecular orbitals are always a combination of atomic orbitals, and in diatomic molecules like B2, this can result in a promotion of the sigma 2p bonding orbital. However, this phenomenon does not seem to apply to O2 or F2.
  • #1
semc
368
5
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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  • #2
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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  • #3
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.
 

1. What is molecular orbital theory?

Molecular orbital theory is a model used in chemistry to explain the bonding and properties of molecules. It describes the behavior of electrons in a molecule by considering the overlapping of atomic orbitals to form molecular orbitals.

2. How does molecular orbital theory explain bonding?

Molecular orbital theory explains bonding by considering the constructive and destructive interference of atomic orbitals. When two atomic orbitals overlap in phase, a bonding molecular orbital is formed, while when they overlap out of phase, an antibonding molecular orbital is formed.

3. What is meant by "mixing" in molecular orbital theory?

Mixing in molecular orbital theory refers to the combination of atomic orbitals to form molecular orbitals. This process involves the overlapping of atomic orbitals and the redistribution of electrons to form new molecular orbitals with different properties.

4. Why is there mixing in molecular orbital theory?

There is mixing in molecular orbital theory because it allows for a more accurate description of the electronic structure and properties of molecules. By considering the overlapping of atomic orbitals, molecular orbital theory can explain the observed bond lengths, bond energies, and other properties of molecules that cannot be explained by simple Lewis structures.

5. How does molecular orbital theory predict the properties of molecules?

Molecular orbital theory predicts the properties of molecules by considering the distribution of electrons in molecular orbitals. The number of electrons in bonding and antibonding molecular orbitals can determine the stability and reactivity of a molecule, as well as its overall shape and properties such as bond angles and dipole moments.

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