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Prepare an approximate MO diagram for O3. Hint: (i) Use O2 and O orbitals to construct MOs(ii) neglect the role of symmetry for simplicity.(iii) Avoid the mixing of s and p orbitals.

Question

Prepare an approximate MO diagram for O3. Hint: (i) Use O2 and O orbitals to construct MOs(ii) neglect the role of symmetry for simplicity.(iii) Avoid the mixing of s and p orbitals.

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Solution

To create an approximate Molecular Orbital (MO) diagram for O3 (Ozone), we can start with the MO diagrams of O2 and a single Oxygen atom. Here are the steps:

  1. Draw the energy levels of the atomic orbitals of Oxygen. Oxygen has the electron configuration 1s2 2s2 2p4. The 1s and 2s orbitals are lower in energy and are usually filled, so we focus on the 2p orbitals. Each Oxygen atom has three 2p orbitals, and in O2, these combine to form bonding (lower energy) and antibonding (higher energy) molecular orbitals.

  2. For O3, we have an extra Oxygen atom. This means we have an extra set of 2p orbitals to consider. These will also combine with the existing molecular orbitals to form new bonding and antibonding orbitals.

  3. Draw these new molecular orbitals on your diagram. The bonding orbitals will be lower in energy than the original atomic orbitals, and the antibonding orbitals will be higher in energy.

  4. Fill the molecular orbitals with electrons. O3 has a total of 18 valence electrons (6 from each Oxygen atom). Fill the orbitals from lowest energy to highest, following Hund's rule (each orbital in a subshell gets one electron before any get two, and all electrons in singly occupied orbitals have the same spin).

  5. The resulting MO diagram shows the bonding situation in O3. The highest occupied molecular orbital (HOMO) is a bonding orbital, which indicates that O3 is a stable molecule.

Remember, this is a simplified diagram. In reality, the situation would be more complex due to the effects of orbital symmetry and the mixing of s and p orbitals.

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