An energy-level scheme showing the occupied molecular orbitals and their relation to atomic orbitals. Occupancies must account for degeneracy and spin.
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]
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A molecular orbital (MO) diagram is a graphical representation of the molecular orbitals in a molecule. It is used to visualize how atomic orbitals combine to form molecular orbitals when atoms come together to form molecules. The key aspects of molecular orbital diagrams include: 1. **Atomic Orbitals**: The starting point for constructing an MO diagram involves identifying the atomic orbitals of the individual atoms that will combine. Common atomic orbitals include s, p, d, and f orbitals.