Ammonia molecular orbital diagram 2026-10-20
In pyramidal ammonia, the hydrogen symmetry orbitals span of the C3v molecular point group. Nitrogen and both have symmetry and span . In the planar D3h molecular point group, these become , and , respectively, while the hydrogen combinations span . Thus the planar out-of-plane lone pair is a symmetry-isolated nonbonding orbital; pyramidalization permits mixing with the other functions.[ref]
Past exam of the chemistry A course of the University of Cambridge 2021 Paper 1 A4 b ii Solution 2026-10-20
For planar ammonia, the nitrogen valence atomic orbitals have symmetries , and . The hydrogen symmetry orbitals span . Consequently the in-plane orbitals form a bonding orbital, a bonding pair and their antibonding partners. The out-of-plane has no matching hydrogen combination and remains a nonbonding orbital. With the core omitted, the conventional valence occupation isThe preceding ammonia molecular orbital diagram shows the correlation. On pyramidalization, and both correlate with of the C3v point group, permitting s–p orbital mixing. The pure planar lone pair can acquire bonding character, lowering its energy and helping stabilize the pyramid. Symmetry alone does not provide a numerical inversion barrier.[ref]