Sigma and Pi Bonds for Diatomic Oxygen Molecule

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The discussion centers on the molecular orbital (MO) theory and its implications for diatomic oxygen's bonding characteristics. According to MO theory, diatomic oxygen has filled σ2px orbitals and unpaired electrons in the antibonding π2py and π2pz orbitals, leading to a bond order of 2. This contrasts with valence bond (VB) theory, which traditionally suggests a double bond (sigma and pi) for oxygen. The unpaired electrons in the antibonding orbitals indicate that the π2py and π2pz bonds can be considered "half" bonds, contributing to the overall bond order. The paramagnetic nature of oxygen is highlighted as evidence against the limitations of VB theory, although it is noted that VB theory can still accurately describe oxygen's bonding. The discussion also touches on the paramagnetism of both singlet and triplet states of oxygen, suggesting that this property does not definitively indicate the ground state configuration.
Conservation
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According to the Molecular orbital theory, diatomic oxygen should have σ2px (internuclear axis) and \pi2py and \pi2pz orbitals filled with two unpaired electrons, one at antibonding \pi2py and the other at antibonding \pi2pz. And of course, the 2s bonding and antibonding orbitals as well.
According to the molecular orbital theory, does this imply that diatomic oxygen possesses three "bonds" and one set of unpaired electrons, opposed to the double bond (sigma pi) implied by the valence bond theory?

Thank you.
 
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The unpaired electrons are in fact antibonding, so that the bond order is 3-2x1/2=2.
In contrast to folk expositions of VB theory, VB theory predicts the same ground state as MO theory and not two double bonds, which rather describes bonding in the excited singulet oxygen.
This was shown already in 1937 by Wheland and Lennard-Jones:
http://pubs.rsc.org/en/content/articlelanding/1937/tf/tf9373301499#!divAbstract
 
Right, hence the paramagnetic properties displayed in oxygen to point out the flaws of VB theory.

However, if the two unpaired electrons are antibonding, does that make the π2py and π2pz bonds "half" bonds? So one "full" sigma bonds at x and two "half" bonds at y and z planes to add up to two?
 
Conservation said:
Right, hence the paramagnetic properties displayed in oxygen to point out the flaws of VB theory.

As I tried to explain, VB gives a correct description of bonding in oxygen, so it is not flawed.
Furthermore, also the singlet state of oxygen is about as paramagnetic as the triplet state, due to orbital momentum, so oxygen being paramagnetic does not help to decide whether the ground state is singlet or triplet.

However, if the two unpaired electrons are antibonding, does that make the π2py and π2pz bonds "half" bonds? So one "full" sigma bonds at x and two "half" bonds at y and z planes to add up to two?
Yes, the pi bonds both have a bond order of 1/2.
 

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