If we put a diatomic molecule under pressure the interatomic distance will be decreased and according to this graph the potential energy of the bonding molecular orbital will be increased.

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What will happen to the energy of the antibonding molecular orbitals?

  • 1
    $\begingroup$ The bond energy you have plotted is a conglomerate property that depends on what happens to all of the orbitals, not just the HOMO or LUMO. Interestingly, weights and energies of specific orbitals may not track with the overall bond energy. See for instance: chem.libretexts.org/Bookshelves/… $\endgroup$
    – Bertram
    Mar 10 '21 at 19:18

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