Solution

ID: past-exam-of-the-chemistry-course-of-the-year-3-of-the-natural-sciences-course-of-the-university-of-cambridge/2022/paper-2a/section-b/23/a/solution

Choose x along O–O. The valence orbital order appropriate to O is approximately
Its twelve valence electrons occupy
The two degenerate pi-antibonding orbitals are singly occupied with parallel spins according to Hund's rules. Thus , multiplicity , with three possible values. A triplet is a many-electron spin classification, not three electrons in one orbital. The resulting ground term is . Exchange stabilization favours this triplet over the singlets formed within the same frontier-orbital manifold.
Figure 1.
Original valence-O2 diagram with the two singly occupied pi-antibonding orbitals
. Details.

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