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NCERT Exemplar · Q65

Q.Use the molecular orbital energy level diagram to show that N2 would be expected to have a triple bond, F2, a single bond and Ne2, no bond.

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Bond order =12(Nb−Na)= \tfrac{1}{2}(N_b - N_a). Filling the MO diagram gives N₂ a bond order of 3 (triple bond), F₂ a bond order of 1 (single bond), and Ne₂ a bond order of 0 (no bond).

In molecular orbital theory the atomic orbitals of the two atoms combine to form bonding molecular orbitals (lower energy) and antibonding molecular orbitals (higher energy). Electrons fill these from lowest energy upward. The bond order decides whether a bond exists and how strong it is:

Bond order=12(Nb−Na)\text{Bond order} = \frac{1}{2}\left(N_b - N_a\right)

where NbN_b = electrons in bonding MOs and NaN_a = electrons in antibonding MOs.

A bond order of 0 means no bond; 1, 2, 3 mean single, double and triple bonds respectively.

For second-period diatomics the MO ordering differs on either side of N₂: up to and including N₂ the π2p\pi_{2p} pair lies below σ2pz\sigma_{2p_z}; for O₂, F₂ and Ne₂ the order reverses so σ2pz\sigma_{2p_z} lies below π2p\pi_{2p}. The bond order is unaffected by this swap.


1. N₂ (14 electrons)

Configuration:

σ1s2 σ1s∗2 σ2s2 σ2s∗2 π2px2π2py2 σ2pz2\sigma_{1s}^2\,\sigma_{1s}^{*2}\,\sigma_{2s}^2\,\sigma_{2s}^{*2}\,\pi_{2p_x}^2\pi_{2p_y}^2\,\sigma_{2p_z}^2

Counting valence contributions: Nb=2(σ2s)+4(π2p)+2(σ2pz)=8N_b = 2(\sigma_{2s}) + 4(\pi_{2p}) + 2(\sigma_{2p_z}) = 8 and Na=2(σ2s∗)N_a = 2(\sigma_{2s}^*).

Bond order=12(8−2)=3\text{Bond order} = \frac{1}{2}(8-2) = 3

A triple bond — one σ\sigma and two π\pi bonds — consistent with N₂'s high stability and short bond length (109.8109.8 pm).


2. F₂ (18 electrons)

Configuration (F₂ ordering, σ2pz\sigma_{2p_z} below π2p\pi_{2p}):

σ1s2 σ1s∗2 σ2s2 σ2s∗2 σ2pz2 π2px2π2py2 π2px∗2π2py∗2\sigma_{1s}^2\,\sigma_{1s}^{*2}\,\sigma_{2s}^2\,\sigma_{2s}^{*2}\,\sigma_{2p_z}^2\,\pi_{2p_x}^2\pi_{2p_y}^2\,\pi_{2p_x}^{*2}\pi_{2p_y}^{*2}

The σ2pz∗\sigma_{2p_z}^* orbital stays empty. Valence counts: Nb=2(σ2s)+2(σ2pz)+4(π2p)=8N_b = 2(\sigma_{2s}) + 2(\sigma_{2p_z}) + 4(\pi_{2p}) = 8 and Na=2(σ2s∗)+4(π2p∗)=6N_a = 2(\sigma_{2s}^*) + 4(\pi_{2p}^*) = 6.

Bond order=12(8−6)=1\text{Bond order} = \frac{1}{2}(8-6) = 1 …

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