In molecular orbital theory, we fill first 2py and2pin be2 molecule and in O2 molecule we fill first 2p​z​ orbital. Why?

Dear Student,

Please find below the solution of your asked query:

A sigma bond is formed whenever a head to head overlapping takes place. A pi bond is formed when side ways overlapping takes place. Number of atomic orbitals is equal to the number of electrons taking part. Atomic orbitals combine to form molecular orbital. Now, in case of O2 there are electrons in p orbitals. The σ2s * (anti-bonding orbitals) interact with the ​ σ2pz orbitals and repulsion between them makes the energy of  σ2pz higher than that of the π2px =π2py bonding orbitals.

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