Numford
Molecular orbitals

Molecular orbital diagram of N₂

Bond order 3, diamagnetic. 14 electrons: Nb = 10, Na = 4.

NN
  • N

N₂Nitrogen

Linear

Each N: 1 sigma bond, 1 lone pair

i

Two atoms always lie on a line. Hybridisation of an atom in a two atom molecule is a count of its sigma bonds and lone pairs; many books do not ask it.

  • Hybridisationsp
  • Polaritynon-polar
  • Bond order3

Molecular orbitals

14 electrons
3bond order
diamagnetic

(Nb − Na) / 2 = (10 − 4) / 2

1s1s2s2s2p2pσ1sσ*1sσ2sσ*2sπ2pσ2pzπ*2pσ*2pzN atomMoleculeN atomEnergy

σ1s² σ*1s² σ2s² σ*2s² (π2px² = π2py²) σ2pz²

Why this shape

  1. Each N has 5 valence electrons. It uses three in one triple bond to N, so two are left as one lone pair.
  2. Steric number = one sigma bond + one lone pair = 2, so each N is sp hybridised. A double or triple bond counts once: only its sigma bond uses a hybrid orbital.
  3. Two electron pairs point in opposite directions, along a line (linear electron geometry). With only two atoms, the molecule itself is a straight line.
  4. Two atoms always lie on a straight line, so there is no bond angle.
  5. Both atoms are the same, so the bond is non-polar.

Lewis structure

10 valence electrons
NN

Formal charges: none

Working

Filling the diagram

  1. N₂ has 14 electrons: 7 from each N.
  2. Up to N₂ (and its ions), the π2p pair lies below σ2pz and fills first.
  3. Configuration: σ1s² σ*1s² σ2s² σ*2s² (π2px² = π2py²) σ2pz²
  4. Bonding electrons Nb = 10, antibonding electrons Na = 4.
  5. Bond order = (Nb − Na) / 2 = (10 − 4) / 2 = 3.
  6. Every electron is paired, so N₂ is diamagnetic.

Class 11, Chapter 4 Chemical Bonding and Molecular Structure.

Questions

MO diagram of N2: quick answers

What is the molecular orbital configuration of N2?

σ1s² σ*1s² σ2s² σ*2s² (π2px² = π2py²) σ2pz². Up to N₂ (and its ions), the π2p pair lies below σ2pz and fills first.

What is the bond order of N2 from its MO diagram?

3: Nb = 10 and Na = 4, so (10 - 4) / 2 = 3. It is diamagnetic.

Why is σ2pz above π2p in N2?

Up to N2 the 2s and 2p orbitals are close in energy and mix, which pushes σ2pz above the π2p pair.

Try any molecule