Molecular Orbital diagram and bond order for N2
Nitrogen (N2) molecule:
Nitrogen atom has electronic configuration 1s2, 2s2, 2p3.
Two p-atomic orbitals (one from each nitrogen) atom combine to form two molecular orbitals, the bonding molecular orbital σ2px and antibonding molecular orbital σ*2px.
The other four p-atomic orbitals (two from each nitrogen) atom combines to give four molecular orbitals, two bonding molecular orbitals i.e. π2py and π2pz, while two antibonding molecular orbitals i.e. π*2py and π*2pz.
The electron filling in these molecular orbitals follows Aufbau, Pauli exclusion principle and Hund’s rule. All six electrons go to bonding molecular orbitals, so strong bonds will be formed.
Bond order = Number of electrons in BMO – Number of electrons in ABMO / 2
= 6 – 0 = 3
As the bond order in Nitrogen is 3 so three bonds i.e. triple bond is formed between two nitrogen atoms (N≡N). Furthermore, as there is no unpaired electron in the Nitrogen molecule hence it is diamagnetic.
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Postulates of Molecular Orbital (MO) Theory
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